Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

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9,391 – 9,405 of 105,508 results

9,391

1,3-Benzenedithiol 95.0+%, TCI America™

CAS: 626-04-0 Molecular Formula: C6H6S2 Molecular Weight (g/mol): 142.23 MDL Number: MFCD00004842 InChI Key: ZWOASCVFHSYHOB-UHFFFAOYSA-N Synonym: 1,3-benzenedithiol,1,3-dimercaptobenzene,dithioresorcin,dithioresorcinol,1,3-benzedithiol,acmc-20ap5g,ksc357g0j PubChem CID: 522062 IUPAC Name: benzene-1,3-dithiol SMILES: SC1=CC(S)=CC=C1

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PubChem CID	522062
CAS	626-04-0
Molecular Weight (g/mol)	142.23
MDL Number	MFCD00004842
SMILES	SC1=CC(S)=CC=C1
Synonym	1,3-benzenedithiol,1,3-dimercaptobenzene,dithioresorcin,dithioresorcinol,1,3-benzedithiol,acmc-20ap5g,ksc357g0j
IUPAC Name	benzene-1,3-dithiol
InChI Key	ZWOASCVFHSYHOB-UHFFFAOYSA-N
Molecular Formula	C6H6S2

9,392

4-(Methylthio)aniline 98.0+%, TCI America™

CAS: 104-96-1 Molecular Formula: C7H9NS Molecular Weight (g/mol): 139.22 MDL Number: MFCD00007889 InChI Key: YKFROQCFVXOUPW-UHFFFAOYSA-N Synonym: 4-methylthio aniline,4-methylmercapto aniline,4-aminothioanisole,p-thioanisidine,benzenamine, 4-methylthio,p-methylthio aniline,p-aminothioanisole,p-thiomethoxyaniline,4-methylsulfanyl aniline,4-methylthio benzenamine PubChem CID: 66038 IUPAC Name: 4-(methylsulfanyl)aniline SMILES: CSC1=CC=C(N)C=C1

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PubChem CID	66038
CAS	104-96-1
Molecular Weight (g/mol)	139.22
MDL Number	MFCD00007889
SMILES	CSC1=CC=C(N)C=C1
Synonym	4-methylthio aniline,4-methylmercapto aniline,4-aminothioanisole,p-thioanisidine,benzenamine, 4-methylthio,p-methylthio aniline,p-aminothioanisole,p-thiomethoxyaniline,4-methylsulfanyl aniline,4-methylthio benzenamine
IUPAC Name	4-(methylsulfanyl)aniline
InChI Key	YKFROQCFVXOUPW-UHFFFAOYSA-N
Molecular Formula	C7H9NS

9,393

6-tert-Butyl-m-cresol 97.0+%, TCI America™

CAS: 88-60-8 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.248 MDL Number: MFCD00002308 InChI Key: XOUQAVYLRNOXDO-UHFFFAOYSA-N Synonym: 6-tert-butyl-m-cresol,6-tert-butyl-3-methylphenol,2-tert-butyl-5-methylphenol,m-cresol, 6-tert-butyl,3-methyl-6-tert-butylphenol,phenol, 2-1,1-dimethylethyl-5-methyl,5-methyl-2-tert-butylphenol,unii-uxv32mj2ca,2-tert-butyl-5-methyl-phenol,6-t-butyl-m-cresol PubChem CID: 6937 IUPAC Name: 2-tert-butyl-5-methylphenol SMILES: CC1=CC(=C(C=C1)C(C)(C)C)O

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PubChem CID	6937
CAS	88-60-8
Molecular Weight (g/mol)	164.248
MDL Number	MFCD00002308
SMILES	CC1=CC(=C(C=C1)C(C)(C)C)O
Synonym	6-tert-butyl-m-cresol,6-tert-butyl-3-methylphenol,2-tert-butyl-5-methylphenol,m-cresol, 6-tert-butyl,3-methyl-6-tert-butylphenol,phenol, 2-1,1-dimethylethyl-5-methyl,5-methyl-2-tert-butylphenol,unii-uxv32mj2ca,2-tert-butyl-5-methyl-phenol,6-t-butyl-m-cresol
IUPAC Name	2-tert-butyl-5-methylphenol
InChI Key	XOUQAVYLRNOXDO-UHFFFAOYSA-N
Molecular Formula	C11H16O

9,394

Ritodrine Hydrochloride 98.0+%, TCI America™

CAS: 23239-51-2 Molecular Formula: C17H22ClNO3 Molecular Weight (g/mol): 323.82 MDL Number: MFCD01657514 InChI Key: IDLSITKDRVDKRV-XHXSRVRCSA-N Synonym: N-(4-Hydroxyphenethyl)-4-hydroxynorephedrine Hydrochloride PubChem CID: 46911860 IUPAC Name: hydrogen 4-(2-{[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)phenol chloride SMILES: [H+].[Cl-].C[C@H](NCCC1=CC=C(O)C=C1)[C@H](O)C1=CC=C(O)C=C1

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Specifications

PubChem CID	46911860
CAS	23239-51-2
Molecular Weight (g/mol)	323.82
MDL Number	MFCD01657514
SMILES	[H+].[Cl-].C[C@H](NCCC1=CC=C(O)C=C1)[C@H](O)C1=CC=C(O)C=C1
Synonym	N-(4-Hydroxyphenethyl)-4-hydroxynorephedrine Hydrochloride
IUPAC Name	hydrogen 4-(2-{[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)phenol chloride
InChI Key	IDLSITKDRVDKRV-XHXSRVRCSA-N
Molecular Formula	C17H22ClNO3

9,395

2-(4-Ethoxyphenyl)-2-methylpropanol 98.0+%, TCI America™

CAS: 83493-63-4 Molecular Formula: C12H18O2 Molecular Weight (g/mol): 194.27 MDL Number: MFCD07787279 InChI Key: OZEZBKUHAGFQME-UHFFFAOYSA-N PubChem CID: 158525 ChEBI: CHEBI:39350 IUPAC Name: 2-(4-ethoxyphenyl)-2-methylpropan-1-ol SMILES: CCOC1=CC=C(C=C1)C(C)(C)CO

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PubChem CID	158525
CAS	83493-63-4
Molecular Weight (g/mol)	194.27
ChEBI	CHEBI:39350
MDL Number	MFCD07787279
SMILES	CCOC1=CC=C(C=C1)C(C)(C)CO
IUPAC Name	2-(4-ethoxyphenyl)-2-methylpropan-1-ol
InChI Key	OZEZBKUHAGFQME-UHFFFAOYSA-N
Molecular Formula	C12H18O2

9,396

4-Isobutylbenzaldehyde 95.0+%, TCI America™

CAS: 40150-98-9 Molecular Formula: C11H14O Molecular Weight (g/mol): 162.232 MDL Number: MFCD00075760 InChI Key: LXPWGAZYJHUWPM-UHFFFAOYSA-N PubChem CID: 577537 IUPAC Name: 4-(2-methylpropyl)benzaldehyde SMILES: CC(C)CC1=CC=C(C=C1)C=O

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Specifications

PubChem CID	577537
CAS	40150-98-9
Molecular Weight (g/mol)	162.232
MDL Number	MFCD00075760
SMILES	CC(C)CC1=CC=C(C=C1)C=O
IUPAC Name	4-(2-methylpropyl)benzaldehyde
InChI Key	LXPWGAZYJHUWPM-UHFFFAOYSA-N
Molecular Formula	C11H14O

9,397

1-Ethynyl-4-propylbenzene 96.0+%, TCI America™

CAS: 62452-73-7 Molecular Formula: C11H12 Molecular Weight (g/mol): 144.217 MDL Number: MFCD00173886 InChI Key: UVFFOABHOIMLNB-UHFFFAOYSA-N Synonym: 4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene PubChem CID: 2775133 IUPAC Name: 1-ethynyl-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)C#C

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Specifications

PubChem CID	2775133
CAS	62452-73-7
Molecular Weight (g/mol)	144.217
MDL Number	MFCD00173886
SMILES	CCCC1=CC=C(C=C1)C#C
Synonym	4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene
IUPAC Name	1-ethynyl-4-propylbenzene
InChI Key	UVFFOABHOIMLNB-UHFFFAOYSA-N
Molecular Formula	C11H12

9,398

4-tert-Butylphenyl Glycidyl Ether 98.0+%, TCI America™

CAS: 3101-60-8 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00005136 InChI Key: HHRACYLRBOUBKM-UHFFFAOYSA-N Synonym: p-tert-butylphenyl glycidyl ether,4-tert-butylphenyl glycidyl ether,4-t-butylphenyl glycidyl ether,2-4-tert-butylphenoxy methyl oxirane,tert-butylphenol glycidyl ether,tert-butylphenyl glycidyl ether,t-butyl phenyl glycidyl ether,ccris 2638,oxirane, 4-1,1-dimethylethyl phenoxy methyl,2-4-tert-butyl phenoxy methyl oxirane PubChem CID: 18360 IUPAC Name: 2-[(4-tert-butylphenoxy)methyl]oxirane SMILES: CC(C)(C)C1=CC=C(C=C1)OCC2CO2

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Specifications

PubChem CID	18360
CAS	3101-60-8
Molecular Weight (g/mol)	206.285
MDL Number	MFCD00005136
SMILES	CC(C)(C)C1=CC=C(C=C1)OCC2CO2
Synonym	p-tert-butylphenyl glycidyl ether,4-tert-butylphenyl glycidyl ether,4-t-butylphenyl glycidyl ether,2-4-tert-butylphenoxy methyl oxirane,tert-butylphenol glycidyl ether,tert-butylphenyl glycidyl ether,t-butyl phenyl glycidyl ether,ccris 2638,oxirane, 4-1,1-dimethylethyl phenoxy methyl,2-4-tert-butyl phenoxy methyl oxirane
IUPAC Name	2-[(4-tert-butylphenoxy)methyl]oxirane
InChI Key	HHRACYLRBOUBKM-UHFFFAOYSA-N
Molecular Formula	C13H18O2

9,399

3,5-Di-tert-butylcatechol 98.0+%, TCI America™

CAS: 1020-31-1 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.328 MDL Number: MFCD00008819 InChI Key: PJZLSMMERMMQBJ-UHFFFAOYSA-N Synonym: 3,5-di-tert-butylcatechol,3,5-di-t-butylcatechol,3,5-di-tert-butylbenzene-1,2-diol,3,5-di-tert-butylpyrocatechol,1,2-benzenediol, 3,5-bis 1,1-dimethylethyl,4,6-di-tert-butylpyrocatechol,unii-1328kn3f8b,1,2-benzenediol, 3,5-di 1,1-dimethylethyl,pyrocatechol, 3,5-di-tert-butyl,3,5-bis tert-butyl benzene-1,2-diol PubChem CID: 66099 IUPAC Name: 3,5-ditert-butylbenzene-1,2-diol SMILES: CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C

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Specifications

PubChem CID	66099
CAS	1020-31-1
Molecular Weight (g/mol)	222.328
MDL Number	MFCD00008819
SMILES	CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C
Synonym	3,5-di-tert-butylcatechol,3,5-di-t-butylcatechol,3,5-di-tert-butylbenzene-1,2-diol,3,5-di-tert-butylpyrocatechol,1,2-benzenediol, 3,5-bis 1,1-dimethylethyl,4,6-di-tert-butylpyrocatechol,unii-1328kn3f8b,1,2-benzenediol, 3,5-di 1,1-dimethylethyl,pyrocatechol, 3,5-di-tert-butyl,3,5-bis tert-butyl benzene-1,2-diol
IUPAC Name	3,5-ditert-butylbenzene-1,2-diol
InChI Key	PJZLSMMERMMQBJ-UHFFFAOYSA-N
Molecular Formula	C14H22O2

9,400

1-Bromo-4-tert-butylbenzene 96.0+%, TCI America™

CAS: 3972-65-4 Molecular Formula: C10H13Br Molecular Weight (g/mol): 213.118 MDL Number: MFCD00000108 InChI Key: XHCAGOVGSDHHNP-UHFFFAOYSA-N Synonym: 4-tert-butylbromobenzene,1-bromo-4-tert-butyl benzene,butylbromobenzene,p-bromo-tert-butylbenzene,1-bromo-4-t-butylbenzene,1-bromo-4-1,1-dimethylethyl benzene,4-tert-butyl-1-bromobenzene,p-bromo-t-butylbenzene,1-bromo-p-t-butylbenzene,4-bromo-tert-butylbenzene PubChem CID: 77595 IUPAC Name: 1-bromo-4-tert-butylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)Br

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PubChem CID	77595
CAS	3972-65-4
Molecular Weight (g/mol)	213.118
MDL Number	MFCD00000108
SMILES	CC(C)(C)C1=CC=C(C=C1)Br
Synonym	4-tert-butylbromobenzene,1-bromo-4-tert-butyl benzene,butylbromobenzene,p-bromo-tert-butylbenzene,1-bromo-4-t-butylbenzene,1-bromo-4-1,1-dimethylethyl benzene,4-tert-butyl-1-bromobenzene,p-bromo-t-butylbenzene,1-bromo-p-t-butylbenzene,4-bromo-tert-butylbenzene
IUPAC Name	1-bromo-4-tert-butylbenzene
InChI Key	XHCAGOVGSDHHNP-UHFFFAOYSA-N
Molecular Formula	C10H13Br

9,401

2-Methyl-1-phenyl-2-propanol 98.0+%, TCI America™

CAS: 100-86-7 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00004465 InChI Key: RIWRBSMFKVOJMN-UHFFFAOYSA-N Synonym: 2-methyl-1-phenyl-2-propanol,benzyldimethylcarbinol,2-benzyl-2-propanol,phenyl-tert-butanol,dimethylbenzylcarbinol,dmbc,1,1-dimethylphenylethanol,1,1-dimethyl-2-phenylethanol,benzylpropyl alcohol,dimethyl benzyl carbinol PubChem CID: 7531 IUPAC Name: 2-methyl-1-phenylpropan-2-ol SMILES: CC(C)(CC1=CC=CC=C1)O

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Specifications

PubChem CID	7531
CAS	100-86-7
Molecular Weight (g/mol)	150.221
MDL Number	MFCD00004465
SMILES	CC(C)(CC1=CC=CC=C1)O
Synonym	2-methyl-1-phenyl-2-propanol,benzyldimethylcarbinol,2-benzyl-2-propanol,phenyl-tert-butanol,dimethylbenzylcarbinol,dmbc,1,1-dimethylphenylethanol,1,1-dimethyl-2-phenylethanol,benzylpropyl alcohol,dimethyl benzyl carbinol
IUPAC Name	2-methyl-1-phenylpropan-2-ol
InChI Key	RIWRBSMFKVOJMN-UHFFFAOYSA-N
Molecular Formula	C10H14O

9,402

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

CAS: 5748-42-5 Molecular Formula: C17H18O2 Molecular Weight (g/mol): 254.329 MDL Number: MFCD01631300 InChI Key: HZIOPONJCVOCFE-UHFFFAOYSA-N PubChem CID: 541479 IUPAC Name: 4-(4-tert-butylphenyl)benzoic acid SMILES: CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

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Specifications

PubChem CID	541479
CAS	5748-42-5
Molecular Weight (g/mol)	254.329
MDL Number	MFCD01631300
SMILES	CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
IUPAC Name	4-(4-tert-butylphenyl)benzoic acid
InChI Key	HZIOPONJCVOCFE-UHFFFAOYSA-N
Molecular Formula	C17H18O2

9,403

2,6-Di-tert-butyl-4-dimethylaminomethylphenol 98.0+%, TCI America™

CAS: 88-27-7 Molecular Formula: C17H29NO Molecular Weight (g/mol): 263.425 MDL Number: MFCD00026283 InChI Key: VMZVBRIIHDRYGK-UHFFFAOYSA-N Synonym: ethyl 703,2,6-di-tert-butyl-4-dimethylaminomethyl phenol,n,n-dimethyl-3,5-di-tert-butyl-4-hydroxybenzylamine,agidol 3,f 1 antioxidant,ethyl antioxidant 703,2,6-di-tert-butyl-4-dimethylamino methylphenol,unii-8tk6vr2kyx,2,6-di-tert-butyl-alpha-dimethylamino-p-cresol,n-3,5-di-tert-butyl-4-hydroxybenzyl dimethylamine PubChem CID: 66609 IUPAC Name: 2,6-ditert-butyl-4-[(dimethylamino)methyl]phenol SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(C)C

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Specifications

PubChem CID	66609
CAS	88-27-7
Molecular Weight (g/mol)	263.425
MDL Number	MFCD00026283
SMILES	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(C)C
Synonym	ethyl 703,2,6-di-tert-butyl-4-dimethylaminomethyl phenol,n,n-dimethyl-3,5-di-tert-butyl-4-hydroxybenzylamine,agidol 3,f 1 antioxidant,ethyl antioxidant 703,2,6-di-tert-butyl-4-dimethylamino methylphenol,unii-8tk6vr2kyx,2,6-di-tert-butyl-alpha-dimethylamino-p-cresol,n-3,5-di-tert-butyl-4-hydroxybenzyl dimethylamine
IUPAC Name	2,6-ditert-butyl-4-[(dimethylamino)methyl]phenol
InChI Key	VMZVBRIIHDRYGK-UHFFFAOYSA-N
Molecular Formula	C17H29NO

9,404

2,2'-Thiodiethylene Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] 98.0+%, TCI America™

CAS: 41484-35-9 Molecular Formula: C38H58O6S Molecular Weight (g/mol): 642.94 MDL Number: MFCD00059346 InChI Key: VFBJXXJYHWLXRM-UHFFFAOYSA-N PubChem CID: 64883 IUPAC Name: 2-[(2-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}ethyl)sulfanyl]ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate SMILES: CC(C)(C)C1=CC(CCC(=O)OCCSCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C

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Specifications

PubChem CID	64883
CAS	41484-35-9
Molecular Weight (g/mol)	642.94
MDL Number	MFCD00059346
SMILES	CC(C)(C)C1=CC(CCC(=O)OCCSCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C
IUPAC Name	2-[(2-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}ethyl)sulfanyl]ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
InChI Key	VFBJXXJYHWLXRM-UHFFFAOYSA-N
Molecular Formula	C38H58O6S

9,405

4-tert-Octylresorcinol 99.0+%, TCI America™

CAS: 28122-52-3 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00045770 InChI Key: YQOJNENEFSZINP-UHFFFAOYSA-N Synonym: 4-tert-octylresorcinol,4-1,1,3,3-tetramethylbutyl benzene-1,3-diol,p-tert-octylresorcinol,4-2,4,4-trimethylpentan-2-yl benzene-1,3-diol,4-t-octyl resorcinol,acmc-209h0z,4-1,1,3,3-tetramethylbutyl resorcinol,1,3-benzenediol,4-1,1,3,3-tetramethylbutyl,4-1,1,3,3-tetramethylbutyl-1,3-benzenediol,1,3-benzenediol, 4-1,1,3,3-tetramethylbutyl PubChem CID: 220749 IUPAC Name: 4-(2,4,4-trimethylpentan-2-yl)benzene-1,3-diol SMILES: CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1O

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Specifications

PubChem CID	220749
CAS	28122-52-3
Molecular Weight (g/mol)	222.33
MDL Number	MFCD00045770
SMILES	CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1O
Synonym	4-tert-octylresorcinol,4-1,1,3,3-tetramethylbutyl benzene-1,3-diol,p-tert-octylresorcinol,4-2,4,4-trimethylpentan-2-yl benzene-1,3-diol,4-t-octyl resorcinol,acmc-209h0z,4-1,1,3,3-tetramethylbutyl resorcinol,1,3-benzenediol,4-1,1,3,3-tetramethylbutyl,4-1,1,3,3-tetramethylbutyl-1,3-benzenediol,1,3-benzenediol, 4-1,1,3,3-tetramethylbutyl
IUPAC Name	4-(2,4,4-trimethylpentan-2-yl)benzene-1,3-diol
InChI Key	YQOJNENEFSZINP-UHFFFAOYSA-N
Molecular Formula	C14H22O2

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