Benzenesulfonyl compounds

Organosulfur compounds that consist of a benzene ring substituted with a sulfonyl group that is subsequently bonded to an organic functional group.

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4-Methylsulphonylbenzyl bromide, Tech.

CAS: 53606-06-7 Molecular Formula: C₈H₉BrO₂S Molecular Weight (g/mol): 249.13 MDL Number: MFCD00185849 InChI Key: HGKPAXHJTMHWAH-UHFFFAOYSA-N Synonym: 1-bromomethyl-4-methylsulfonyl benzene,4-methylsulfonyl benzyl bromide,1-bromomethyl-4-methanesulfonylbenzene,benzene, 1-bromomethyl-4-methylsulfonyl,4-methylsulphonylbenzyl bromide,4-methylsulfonyl benzylbromide,1-bromomethyl-4-methanesulfonyl-benzene,1-bromomethyl-4-methylsulfonylbenzene,pubchem18666,acmc-1b0ix PubChem CID: 2733581 IUPAC Name: 1-(bromomethyl)-4-methylsulfonylbenzene SMILES: CS(=O)(=O)C1=CC=C(C=C1)CBr

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PubChem CID	2733581
CAS	53606-06-7
Molecular Weight (g/mol)	249.13
MDL Number	MFCD00185849
SMILES	CS(=O)(=O)C1=CC=C(C=C1)CBr
Synonym	1-bromomethyl-4-methylsulfonyl benzene,4-methylsulfonyl benzyl bromide,1-bromomethyl-4-methanesulfonylbenzene,benzene, 1-bromomethyl-4-methylsulfonyl,4-methylsulphonylbenzyl bromide,4-methylsulfonyl benzylbromide,1-bromomethyl-4-methanesulfonyl-benzene,1-bromomethyl-4-methylsulfonylbenzene,pubchem18666,acmc-1b0ix
IUPAC Name	1-(bromomethyl)-4-methylsulfonylbenzene
InChI Key	HGKPAXHJTMHWAH-UHFFFAOYSA-N
Molecular Formula	C₈H₉BrO₂S

3-Methylsulphonylbenzoic acid, 95%, Thermo Scientific™

CAS: 5345-27-7 Molecular Formula: C₈H₈O₄S Molecular Weight (g/mol): 200.22 MDL Number: MFCD00216488 InChI Key: KUTBMATZUQWFSR-UHFFFAOYSA-N Synonym: 3-methylsulfonyl benzoic acid,3-methylsulphonyl benzoic acid,3-methylsulphonylbenzoic acid,3-methanesulfonylbenzoic acid,3-methanesulfonyl-benzoic acid,benzoic acid, 3-methylsulfonyl,3-mesylbenzoic acid,pubchem10870,acmc-1auq1 PubChem CID: 220380 IUPAC Name: 3-methylsulfonylbenzoic acid SMILES: CS(=O)(=O)C1=CC=CC(=C1)C(=O)O

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PubChem CID	220380
CAS	5345-27-7
Molecular Weight (g/mol)	200.22
MDL Number	MFCD00216488
SMILES	CS(=O)(=O)C1=CC=CC(=C1)C(=O)O
Synonym	3-methylsulfonyl benzoic acid,3-methylsulphonyl benzoic acid,3-methylsulphonylbenzoic acid,3-methanesulfonylbenzoic acid,3-methanesulfonyl-benzoic acid,benzoic acid, 3-methylsulfonyl,3-mesylbenzoic acid,pubchem10870,acmc-1auq1
IUPAC Name	3-methylsulfonylbenzoic acid
InChI Key	KUTBMATZUQWFSR-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₄S

2-Fluoro-5-methylsulphonylnitrobenzene, 95%, Thermo Scientific™

CAS: 453-72-5 Molecular Formula: C7H6FNO4S Molecular Weight (g/mol): 219.19 MDL Number: MFCD00025066 InChI Key: OUSNDSFSTBZESM-UHFFFAOYSA-N Synonym: 4-methylsulfonyl-2-nitrofluorobenzene,1-fluoro-4-methylsulfonyl-2-nitrobenzene,1-fluoro-4-methanesulfonyl-2-nitrobenzene,2-fluoro-5-methyl sulfonyl nitrobenzene,2-fluoro-5-methylsulphonylnitrobenzene,4-fluoro-3-nitrophenyl methyl sulfone,benzene,1-fluoro-4-methylsulfonyl-2-nitro,2-fluoro-5-methylsulfonylnitrobenzene,2-fluoro-5-methylsulphonyl nitrobenzene,1-fluoro-4-methylsulfonyl-2-nitro-benzene PubChem CID: 313137 IUPAC Name: 1-fluoro-4-methanesulfonyl-2-nitrobenzene SMILES: CS(=O)(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O

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PubChem CID	313137
CAS	453-72-5
Molecular Weight (g/mol)	219.19
MDL Number	MFCD00025066
SMILES	CS(=O)(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O
Synonym	4-methylsulfonyl-2-nitrofluorobenzene,1-fluoro-4-methylsulfonyl-2-nitrobenzene,1-fluoro-4-methanesulfonyl-2-nitrobenzene,2-fluoro-5-methyl sulfonyl nitrobenzene,2-fluoro-5-methylsulphonylnitrobenzene,4-fluoro-3-nitrophenyl methyl sulfone,benzene,1-fluoro-4-methylsulfonyl-2-nitro,2-fluoro-5-methylsulfonylnitrobenzene,2-fluoro-5-methylsulphonyl nitrobenzene,1-fluoro-4-methylsulfonyl-2-nitro-benzene
IUPAC Name	1-fluoro-4-methanesulfonyl-2-nitrobenzene
InChI Key	OUSNDSFSTBZESM-UHFFFAOYSA-N
Molecular Formula	C7H6FNO4S

4-(Methanesulfonyl)phenylboronic acid, 98+%

CAS: 149104-88-1 Molecular Formula: C7H9BO4S Molecular Weight (g/mol): 200.02 MDL Number: MFCD01630820 InChI Key: VDUKDQTYMWUSAC-UHFFFAOYSA-N Synonym: 4-methylsulfonyl phenylboronic acid,4-methanesulfonyl phenylboronic acid,4-methylsulfonyl phenyl boronic acid,4-methanesulfonyl benzeneboronic acid,4-methanesulfonylphenylboronic acid,4-methylsulfonylphenyl boronic acid,4-boronophenyl methyl sulphone,4-methylsulphonyl phenylboronic acid,4-methylsulphonyl benzeneboronic acid,4-methanesulfonylphenyl boranediol PubChem CID: 2734364 IUPAC Name: (4-methylsulfonylphenyl)boronic acid SMILES: CS(=O)(=O)C1=CC=C(C=C1)B(O)O

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PubChem CID	2734364
CAS	149104-88-1
Molecular Weight (g/mol)	200.02
MDL Number	MFCD01630820
SMILES	CS(=O)(=O)C1=CC=C(C=C1)B(O)O
Synonym	4-methylsulfonyl phenylboronic acid,4-methanesulfonyl phenylboronic acid,4-methylsulfonyl phenyl boronic acid,4-methanesulfonyl benzeneboronic acid,4-methanesulfonylphenylboronic acid,4-methylsulfonylphenyl boronic acid,4-boronophenyl methyl sulphone,4-methylsulphonyl phenylboronic acid,4-methylsulphonyl benzeneboronic acid,4-methanesulfonylphenyl boranediol
IUPAC Name	(4-methylsulfonylphenyl)boronic acid
InChI Key	VDUKDQTYMWUSAC-UHFFFAOYSA-N
Molecular Formula	C7H9BO4S

(Phenylsulfonyl)acetic acid, 97%

CAS: 3959-23-7 Molecular Formula: C8H8O4S Molecular Weight (g/mol): 200.208 MDL Number: MFCD00025042 InChI Key: YTEFAALYDTWTLB-UHFFFAOYSA-N Synonym: phenylsulfonyl acetic acid,2-phenylsulfonyl acetic acid,2-benzenesulfonyl acetic acid,phenylsulfonylacetic acid,acetic acid, phenylsulfonyl,benzenesulfonyl-acetic acid,benzenesulfonyl acetic acid,2-phenylsulphonyl acetic acid,benzenesulfonylacetic acid,phenyl sulfonylacetic acid PubChem CID: 59543 IUPAC Name: 2-(benzenesulfonyl)acetic acid SMILES: C1=CC=C(C=C1)S(=O)(=O)CC(=O)O

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PubChem CID	59543
CAS	3959-23-7
Molecular Weight (g/mol)	200.208
MDL Number	MFCD00025042
SMILES	C1=CC=C(C=C1)S(=O)(=O)CC(=O)O
Synonym	phenylsulfonyl acetic acid,2-phenylsulfonyl acetic acid,2-benzenesulfonyl acetic acid,phenylsulfonylacetic acid,acetic acid, phenylsulfonyl,benzenesulfonyl-acetic acid,benzenesulfonyl acetic acid,2-phenylsulphonyl acetic acid,benzenesulfonylacetic acid,phenyl sulfonylacetic acid
IUPAC Name	2-(benzenesulfonyl)acetic acid
InChI Key	YTEFAALYDTWTLB-UHFFFAOYSA-N
Molecular Formula	C8H8O4S

4-(Methylsulfonyl)phenol, 95%, Thermo Scientific™

CAS: 14763-60-1 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00047806 InChI Key: KECCFSZFXLAGJS-UHFFFAOYSA-N Synonym: 4-methylsulfonyl phenol,4-methanesulfonylphenol,4-methanesulfonyl-phenol,4-hydroxyphenyl methyl sulfone,4-methylsulphonylphenol,phenol, p-methylsulfonyl,phenol, 4-methylsulfonyl,p-hydroxyphenyl methyl sulfone,p-methylsulfonyl phenol,unii-f7bif7zqj9 PubChem CID: 123350 IUPAC Name: 4-methylsulfonylphenol SMILES: CS(=O)(=O)C1=CC=C(O)C=C1

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PubChem CID	123350
CAS	14763-60-1
Molecular Weight (g/mol)	172.20
MDL Number	MFCD00047806
SMILES	CS(=O)(=O)C1=CC=C(O)C=C1
Synonym	4-methylsulfonyl phenol,4-methanesulfonylphenol,4-methanesulfonyl-phenol,4-hydroxyphenyl methyl sulfone,4-methylsulphonylphenol,phenol, p-methylsulfonyl,phenol, 4-methylsulfonyl,p-hydroxyphenyl methyl sulfone,p-methylsulfonyl phenol,unii-f7bif7zqj9
IUPAC Name	4-methylsulfonylphenol
InChI Key	KECCFSZFXLAGJS-UHFFFAOYSA-N
Molecular Formula	C7H8O3S

Phenyl sulfone, 97%

CAS: 127-63-9 Molecular Formula: C12H10O2S Molecular Weight (g/mol): 218.27 MDL Number: MFCD00007548 InChI Key: KZTYYGOKRVBIMI-UHFFFAOYSA-N Synonym: diphenyl sulfone,phenyl sulfone,sulfonyldibenzene,diphenylsulfone,sulfobenzide,diphenyl sulphone,benzene, 1,1'-sulfonylbis,sulfone, diphenyl,1,1'-sulfonyldibenzene,phenyl sulphone PubChem CID: 31386 ChEBI: CHEBI:78360 SMILES: O=S(=O)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	31386
CAS	127-63-9
Molecular Weight (g/mol)	218.27
ChEBI	CHEBI:78360
MDL Number	MFCD00007548
SMILES	O=S(=O)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	diphenyl sulfone,phenyl sulfone,sulfonyldibenzene,diphenylsulfone,sulfobenzide,diphenyl sulphone,benzene, 1,1'-sulfonylbis,sulfone, diphenyl,1,1'-sulfonyldibenzene,phenyl sulphone
InChI Key	KZTYYGOKRVBIMI-UHFFFAOYSA-N
Molecular Formula	C12H10O2S

Thiamphenicol

CAS: 15318-45-3 Molecular Formula: C12H15Cl2NO5S Molecular Weight (g/mol): 356.214 MDL Number: MFCD00467983 InChI Key: OTVAEFIXJLOWRX-NXEZZACHSA-N Synonym: thiamphenicol,thiophenicol,thiamcol,+-thiamphenicol,raceophenidol,thiocymetin,dextrosulphenidol,thiamphenicolum,d-thiocymetin,d-thiophenicol PubChem CID: 27200 ChEBI: CHEBI:32215 IUPAC Name: 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O

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PubChem CID	27200
CAS	15318-45-3
Molecular Weight (g/mol)	356.214
ChEBI	CHEBI:32215
MDL Number	MFCD00467983
SMILES	CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O
Synonym	thiamphenicol,thiophenicol,thiamcol,+-thiamphenicol,raceophenidol,thiocymetin,dextrosulphenidol,thiamphenicolum,d-thiocymetin,d-thiophenicol
IUPAC Name	2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
InChI Key	OTVAEFIXJLOWRX-NXEZZACHSA-N
Molecular Formula	C12H15Cl2NO5S

BAY 11-7085 97.0+%, TCI America™

CAS: 196309-76-9 Molecular Formula: C13H15NO2S Molecular Weight (g/mol): 249.328 MDL Number: MFCD01862602 InChI Key: VHKZGNPOHPFPER-ONNFQVAWSA-N Synonym: e-3-4-tert-butylphenylsulfonyl acrylonitrile,e-3-4-tert-butyl phenyl sulfonyl acrylonitrile,e-3-4-t-butylphenylsulfonyl-2-propenenitrile,e-3-4-tert-butylphenyl sulfonylprop-2-enenitrile,e 3-4-t-butylphenyl sulfonyl-2-propenenitrile,2-propenenitrile, 3-4-1,1-dimethylethyl phenyl sulfonyl-, 2e,2e-3-4-tert-butylbenzenesulfonyl prop-2-enenitrile,bay hplc , solid,e-3-4-tert-butyl-benzenesulfonyl-acrylonitrile,e-3-4-tert-butylphenyl sulfonyl-2-propenenitrile PubChem CID: 5353432 IUPAC Name: (E)-3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C=CC#N

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PubChem CID	5353432
CAS	196309-76-9
Molecular Weight (g/mol)	249.328
MDL Number	MFCD01862602
SMILES	CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C=CC#N
Synonym	e-3-4-tert-butylphenylsulfonyl acrylonitrile,e-3-4-tert-butyl phenyl sulfonyl acrylonitrile,e-3-4-t-butylphenylsulfonyl-2-propenenitrile,e-3-4-tert-butylphenyl sulfonylprop-2-enenitrile,e 3-4-t-butylphenyl sulfonyl-2-propenenitrile,2-propenenitrile, 3-4-1,1-dimethylethyl phenyl sulfonyl-, 2e,2e-3-4-tert-butylbenzenesulfonyl prop-2-enenitrile,bay hplc , solid,e-3-4-tert-butyl-benzenesulfonyl-acrylonitrile,e-3-4-tert-butylphenyl sulfonyl-2-propenenitrile
IUPAC Name	(E)-3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile
InChI Key	VHKZGNPOHPFPER-ONNFQVAWSA-N
Molecular Formula	C13H15NO2S

4-(Methylsulfonyl)benzoic Acid 98.0+%, TCI America™

CAS: 4052-30-6 Molecular Formula: C8H8O4S Molecular Weight (g/mol): 200.208 MDL Number: MFCD00007564 InChI Key: AJBWNNKDUMXZLM-UHFFFAOYSA-N Synonym: 4-methylsulfonyl benzoic acid,p-methylsulfonylbenzoic acid,4-methanesulfonyl-benzoic acid,4-methylsulphonylbenzoic acid,4-methylsulphonyl benzoic acid,4-methanesulfonylbenzoic acid,benzoic acid, 4-methylsulfonyl,p-methylsulphonyl benzoic acid,4-methanesulfonyl benzoic acid PubChem CID: 77670 IUPAC Name: 4-methylsulfonylbenzoic acid SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(=O)O

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PubChem CID	77670
CAS	4052-30-6
Molecular Weight (g/mol)	200.208
MDL Number	MFCD00007564
SMILES	CS(=O)(=O)C1=CC=C(C=C1)C(=O)O
Synonym	4-methylsulfonyl benzoic acid,p-methylsulfonylbenzoic acid,4-methanesulfonyl-benzoic acid,4-methylsulphonylbenzoic acid,4-methylsulphonyl benzoic acid,4-methanesulfonylbenzoic acid,benzoic acid, 4-methylsulfonyl,p-methylsulphonyl benzoic acid,4-methanesulfonyl benzoic acid
IUPAC Name	4-methylsulfonylbenzoic acid
InChI Key	AJBWNNKDUMXZLM-UHFFFAOYSA-N
Molecular Formula	C8H8O4S

4-Fluorophenyl Methyl Sulfone 98.0+%, TCI America™

CAS: 455-15-2 Molecular Formula: C7H7FO2S Molecular Weight (g/mol): 174.189 MDL Number: MFCD00039753 InChI Key: DPJHZJGAGIWXTD-UHFFFAOYSA-N Synonym: 4-fluorophenyl methyl sulfone,1-fluoro-4-methylsulfonyl benzene,benzene, 1-fluoro-4-methylsulfonyl,1-fluoro-4-methylsulphonyl benzene,1-fluoro-4-methanesulfonylbenzene,4-fluorophenyl methyl sulphone,4-fluorophenylmethylsulfone,sulfone, p-fluorophenyl methyl,methyl 4-fluorophenyl sulfone,1-fluoro-4-methylsulfonyl-benzene PubChem CID: 67994 IUPAC Name: 1-fluoro-4-methylsulfonylbenzene SMILES: CS(=O)(=O)C1=CC=C(C=C1)F

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PubChem CID	67994
CAS	455-15-2
Molecular Weight (g/mol)	174.189
MDL Number	MFCD00039753
SMILES	CS(=O)(=O)C1=CC=C(C=C1)F
Synonym	4-fluorophenyl methyl sulfone,1-fluoro-4-methylsulfonyl benzene,benzene, 1-fluoro-4-methylsulfonyl,1-fluoro-4-methylsulphonyl benzene,1-fluoro-4-methanesulfonylbenzene,4-fluorophenyl methyl sulphone,4-fluorophenylmethylsulfone,sulfone, p-fluorophenyl methyl,methyl 4-fluorophenyl sulfone,1-fluoro-4-methylsulfonyl-benzene
IUPAC Name	1-fluoro-4-methylsulfonylbenzene
InChI Key	DPJHZJGAGIWXTD-UHFFFAOYSA-N
Molecular Formula	C7H7FO2S

2,5-Dichloro-N-[2-(isopropylsulfonyl)phenyl]pyrimidin-4-amine 97.0+%, TCI America™

CAS: 761440-16-8 Molecular Formula: C13H13Cl2N3O2S Molecular Weight (g/mol): 346.23 MDL Number: MFCD12827956 InChI Key: WWVLDJAVSQZSKO-UHFFFAOYSA-N PubChem CID: 59764378 IUPAC Name: 2,5-dichloro-N-[2-(propane-2-sulfonyl)phenyl]pyrimidin-4-amine SMILES: CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(Cl)=NC=C1Cl

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Specifications

PubChem CID	59764378
CAS	761440-16-8
Molecular Weight (g/mol)	346.23
MDL Number	MFCD12827956
SMILES	CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(Cl)=NC=C1Cl
IUPAC Name	2,5-dichloro-N-[2-(propane-2-sulfonyl)phenyl]pyrimidin-4-amine
InChI Key	WWVLDJAVSQZSKO-UHFFFAOYSA-N
Molecular Formula	C13H13Cl2N3O2S

4-Fluoro-3-nitrophenyl Methyl Sulfone 98.0+%, TCI America™

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PubChem CID	313137
CAS	453-72-5
Molecular Weight (g/mol)	219.19
MDL Number	MFCD00025066
SMILES	CS(=O)(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O
Synonym	4-methylsulfonyl-2-nitrofluorobenzene,1-fluoro-4-methylsulfonyl-2-nitrobenzene,1-fluoro-4-methanesulfonyl-2-nitrobenzene,2-fluoro-5-methyl sulfonyl nitrobenzene,2-fluoro-5-methylsulphonylnitrobenzene,4-fluoro-3-nitrophenyl methyl sulfone,benzene,1-fluoro-4-methylsulfonyl-2-nitro,2-fluoro-5-methylsulfonylnitrobenzene,2-fluoro-5-methylsulphonyl nitrobenzene,1-fluoro-4-methylsulfonyl-2-nitro-benzene
IUPAC Name	1-fluoro-4-methanesulfonyl-2-nitrobenzene
InChI Key	OUSNDSFSTBZESM-UHFFFAOYSA-N
Molecular Formula	C7H6FNO4S

Phenyl Vinyl Sulfone 98.0+%, TCI America™

CAS: 5535-48-8 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00007554 InChI Key: UJTPZISIAWDGFF-UHFFFAOYSA-N Synonym: phenyl vinyl sulfone,vinylsulfonyl benzene,ethenesulfonyl benzene,benzene, ethenylsulfonyl,sulfone, phenyl vinyl,vinylsulfonylbenzene,phenyl vinyl sulphone,ethenylsulfonyl benzene,ethenesulfonyl-benzene,phenyl-vinylsulfon PubChem CID: 79664 IUPAC Name: (ethenesulfonyl)benzene SMILES: C=CS(=O)(=O)C1=CC=CC=C1

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PubChem CID	79664
CAS	5535-48-8
Molecular Weight (g/mol)	168.21
MDL Number	MFCD00007554
SMILES	C=CS(=O)(=O)C1=CC=CC=C1
Synonym	phenyl vinyl sulfone,vinylsulfonyl benzene,ethenesulfonyl benzene,benzene, ethenylsulfonyl,sulfone, phenyl vinyl,vinylsulfonylbenzene,phenyl vinyl sulphone,ethenylsulfonyl benzene,ethenesulfonyl-benzene,phenyl-vinylsulfon
IUPAC Name	(ethenesulfonyl)benzene
InChI Key	UJTPZISIAWDGFF-UHFFFAOYSA-N
Molecular Formula	C8H8O2S

Methyl 2-Methoxy-5-(methylsulfonyl)benzoate 98.0+%, TCI America™

CAS: 63484-12-8 Molecular Formula: C10H12O5S Molecular Weight (g/mol): 244.261 MDL Number: MFCD01317545 InChI Key: DSRPTFIZJVCPPS-UHFFFAOYSA-N Synonym: 2-Methoxy-5-(methylsulfonyl)benzoic Acid Methyl Ester PubChem CID: 6454622 IUPAC Name: methyl 2-methoxy-5-methylsulfonylbenzoate SMILES: COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC

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Specifications

PubChem CID	6454622
CAS	63484-12-8
Molecular Weight (g/mol)	244.261
MDL Number	MFCD01317545
SMILES	COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC
Synonym	2-Methoxy-5-(methylsulfonyl)benzoic Acid Methyl Ester
IUPAC Name	methyl 2-methoxy-5-methylsulfonylbenzoate
InChI Key	DSRPTFIZJVCPPS-UHFFFAOYSA-N
Molecular Formula	C10H12O5S

Benzenesulfonyl compounds

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