Thioethers

Organosulfur compounds that contain a carbon atom bonded to a sulfur atom that is bonded to a carbon atom in the following structure: C-S-C. Thioethers are considered the sulfur analog of the ether functional group.

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2-(Methylthio)ethylamine, Thermo Scientific™

CAS: 18542-42-2 Molecular Formula: C3H9NS Molecular Weight (g/mol): 91.172 MDL Number: MFCD00014825 InChI Key: CYWGSFFHHMQKET-UHFFFAOYSA-N Synonym: 2-methylthio ethylamine,2-methylthio ethanamine,2-aminoethyl methyl sulfide,2-methylsulfanyl ethanamine,ethanamine, 2-methylthio,2-methylsulfanyl ethan-1-amine,2-methylthio ethyl amine,ethylamine, 2-methylthio,s-methylcysteamine PubChem CID: 87697 IUPAC Name: 2-methylsulfanylethanamine SMILES: CSCCN

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PubChem CID	87697
CAS	18542-42-2
Molecular Weight (g/mol)	91.172
MDL Number	MFCD00014825
SMILES	CSCCN
Synonym	2-methylthio ethylamine,2-methylthio ethanamine,2-aminoethyl methyl sulfide,2-methylsulfanyl ethanamine,ethanamine, 2-methylthio,2-methylsulfanyl ethan-1-amine,2-methylthio ethyl amine,ethylamine, 2-methylthio,s-methylcysteamine
IUPAC Name	2-methylsulfanylethanamine
InChI Key	CYWGSFFHHMQKET-UHFFFAOYSA-N
Molecular Formula	C3H9NS

Thiomorpholine, 98%

CAS: 123-90-0 Molecular Formula: C4H9NS Molecular Weight (g/mol): 103.183 MDL Number: MFCD00005974 InChI Key: BRNULMACUQOKMR-UHFFFAOYSA-N Synonym: thiamorpholine,thiazolidinane,parathiazan,4-thiomorpholine,tetrahydro-1,4-thiazine,1,4-thiazane,1,4-thiazan,1-thia-4-azacyclohexane,unii-3a8r61g6qv,1,4-thiazaperhydroine PubChem CID: 67164 ChEBI: CHEBI:36392 IUPAC Name: thiomorpholine SMILES: C1CSCCN1

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PubChem CID	67164
CAS	123-90-0
Molecular Weight (g/mol)	103.183
ChEBI	CHEBI:36392
MDL Number	MFCD00005974
SMILES	C1CSCCN1
Synonym	thiamorpholine,thiazolidinane,parathiazan,4-thiomorpholine,tetrahydro-1,4-thiazine,1,4-thiazane,1,4-thiazan,1-thia-4-azacyclohexane,unii-3a8r61g6qv,1,4-thiazaperhydroine
IUPAC Name	thiomorpholine
InChI Key	BRNULMACUQOKMR-UHFFFAOYSA-N
Molecular Formula	C4H9NS

Di-n-octyl sulfide, 97%

CAS: 2690-08-6 MDL Number: MFCD00009566

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CAS	2690-08-6
MDL Number	MFCD00009566

Methyl sulfide, 99+%, extra pure

CAS: 75-18-3 Molecular Formula: C2H6S Molecular Weight (g/mol): 62.13 MDL Number: MFCD00008562 InChI Key: QMMFVYPAHWMCMS-UHFFFAOYSA-N Synonym: dimethyl sulfide,methyl sulfide,methane, thiobis,dimethylsulfide,dimethylsulphide,methyl thioether,2-thiapropane,dimethyl sulphide,dimethyl thioether,methylthiomethane PubChem CID: 1068 ChEBI: CHEBI:17437 IUPAC Name: methylsulfanylmethane SMILES: CSC

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PubChem CID	1068
CAS	75-18-3
Molecular Weight (g/mol)	62.13
ChEBI	CHEBI:17437
MDL Number	MFCD00008562
SMILES	CSC
Synonym	dimethyl sulfide,methyl sulfide,methane, thiobis,dimethylsulfide,dimethylsulphide,methyl thioether,2-thiapropane,dimethyl sulphide,dimethyl thioether,methylthiomethane
IUPAC Name	methylsulfanylmethane
InChI Key	QMMFVYPAHWMCMS-UHFFFAOYSA-N
Molecular Formula	C2H6S

4-(Methylthio)butanol, 99%

CAS: 20582-85-8 Molecular Formula: C5H12OS Molecular Weight (g/mol): 120.21 MDL Number: MFCD00002973 InChI Key: JNTVUHZXIJFHAU-UHFFFAOYSA-N Synonym: 4-methylthio-1-butanol,4-methylthio butanol,4-methylthiobutan-1-ol,unii-yl87ury6pc,4-methylsulfanyl-1-butanol,1-butanol, 4-methylthio,yl87ury6pc,4-methylthio butan-1-ol,4-methylsulfanyl butan-1-ol,4-methylthio-1-butanol, polymer-bound PubChem CID: 519793 SMILES: CSCCCCO

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PubChem CID	519793
CAS	20582-85-8
Molecular Weight (g/mol)	120.21
MDL Number	MFCD00002973
SMILES	CSCCCCO
Synonym	4-methylthio-1-butanol,4-methylthio butanol,4-methylthiobutan-1-ol,unii-yl87ury6pc,4-methylsulfanyl-1-butanol,1-butanol, 4-methylthio,yl87ury6pc,4-methylthio butan-1-ol,4-methylsulfanyl butan-1-ol,4-methylthio-1-butanol, polymer-bound
InChI Key	JNTVUHZXIJFHAU-UHFFFAOYSA-N
Molecular Formula	C5H12OS

Di-n-pentyl sulfide, 97%

CAS: 872-10-6 Molecular Formula: C10H22S Molecular Weight (g/mol): 174.35 MDL Number: MFCD00027275 InChI Key: JOZDADPMWLVEJK-UHFFFAOYSA-N Synonym: pentyl sulfide,diamyl sulfide,pentane, 1,1'-thiobis,amyl sulfide,n-amyl sulfide,dipentyl sulphide,di-n-pentyl sulfide,dipentyl sulfide,unii-61xjn3644r,di-n-pentyl sulphide PubChem CID: 13382 IUPAC Name: 1-pentylsulfanylpentane SMILES: CCCCCSCCCCC

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PubChem CID	13382
CAS	872-10-6
Molecular Weight (g/mol)	174.35
MDL Number	MFCD00027275
SMILES	CCCCCSCCCCC
Synonym	pentyl sulfide,diamyl sulfide,pentane, 1,1'-thiobis,amyl sulfide,n-amyl sulfide,dipentyl sulphide,di-n-pentyl sulfide,dipentyl sulfide,unii-61xjn3644r,di-n-pentyl sulphide
IUPAC Name	1-pentylsulfanylpentane
InChI Key	JOZDADPMWLVEJK-UHFFFAOYSA-N
Molecular Formula	C10H22S

Azathioprine

CAS: 446-86-6 Molecular Formula: C9H7N7O2S Molecular Weight (g/mol): 277.262 MDL Number: MFCD00069203 InChI Key: LMEKQMALGUDUQG-UHFFFAOYSA-N Synonym: azathioprine,azothioprine,imuran,azathioprin,azatioprin,azamun,azanin,imurel,ccucol,imurek PubChem CID: 2265 ChEBI: CHEBI:2948 IUPAC Name: 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine SMILES: CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]

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PubChem CID	2265
CAS	446-86-6
Molecular Weight (g/mol)	277.262
ChEBI	CHEBI:2948
MDL Number	MFCD00069203
SMILES	CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]
Synonym	azathioprine,azothioprine,imuran,azathioprin,azatioprin,azamun,azanin,imurel,ccucol,imurek
IUPAC Name	6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine
InChI Key	LMEKQMALGUDUQG-UHFFFAOYSA-N
Molecular Formula	C9H7N7O2S

6-(Methylthio)purine, 98%

CAS: 50-66-8 Molecular Formula: C6H6N4S Molecular Weight (g/mol): 166.20 MDL Number: MFCD00005576 InChI Key: UIJIQXGRFSPYQW-UHFFFAOYSA-N Synonym: 6-methylthio purine,6-methylmercaptopurine,6-methylthiopurine,1h-purine, 6-methylthio,6-methyl mp,purine, 6-methylthio,s-methyl-6-mercaptopurine,6-methylsulfanyl-9h-purine,unii-6v404dv25o,thiopurine s-methylether PubChem CID: 5778 ChEBI: CHEBI:28279 IUPAC Name: 6-(methylsulfanyl)-7H-purine SMILES: CSC1=C2NC=NC2=NC=N1

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PubChem CID	5778
CAS	50-66-8
Molecular Weight (g/mol)	166.20
ChEBI	CHEBI:28279
MDL Number	MFCD00005576
SMILES	CSC1=C2NC=NC2=NC=N1
Synonym	6-methylthio purine,6-methylmercaptopurine,6-methylthiopurine,1h-purine, 6-methylthio,6-methyl mp,purine, 6-methylthio,s-methyl-6-mercaptopurine,6-methylsulfanyl-9h-purine,unii-6v404dv25o,thiopurine s-methylether
IUPAC Name	6-(methylsulfanyl)-7H-purine
InChI Key	UIJIQXGRFSPYQW-UHFFFAOYSA-N
Molecular Formula	C6H6N4S

Diisopropyl sulfide, 99%

CAS: 625-80-9 Molecular Formula: C6H14S Molecular Weight (g/mol): 118.24 MDL Number: MFCD00008895 InChI Key: XYWDPYKBIRQXQS-UHFFFAOYSA-N Synonym: diisopropyl sulfide,isopropyl sulfide,propane, 2,2'-thiobis,2,4-dimethyl-3-thiapentane,isopropyl sulphide,diisopropyl sulphide,2,2'-thiodipropane,2-isopropylsulfanyl propane,2-propan-2-ylsulfanyl propane,isopropylsulfide PubChem CID: 12264 SMILES: CC(C)SC(C)C

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PubChem CID	12264
CAS	625-80-9
Molecular Weight (g/mol)	118.24
MDL Number	MFCD00008895
SMILES	CC(C)SC(C)C
Synonym	diisopropyl sulfide,isopropyl sulfide,propane, 2,2'-thiobis,2,4-dimethyl-3-thiapentane,isopropyl sulphide,diisopropyl sulphide,2,2'-thiodipropane,2-isopropylsulfanyl propane,2-propan-2-ylsulfanyl propane,isopropylsulfide
InChI Key	XYWDPYKBIRQXQS-UHFFFAOYSA-N
Molecular Formula	C6H14S

2-(Phenylthio)nicotinic acid, 97%, Thermo Scientific™

CAS: 35620-72-5 Molecular Formula: C12H9NO2S Molecular Weight (g/mol): 231.269 MDL Number: MFCD00052110 InChI Key: MGIDOIDQQMOYTH-UHFFFAOYSA-N Synonym: 2-phenylthio nicotinic acid,2-phenylsulfanyl nicotinic acid,2-phenylsulfanyl pyridine-3-carboxylic acid,3-pyridinecarboxylicacid, 2-phenylthio,3-pyridinecarboxylic acid, 2-phenylthio,2-phenylthiopyridine-3-carboxylic acid,maybridge1_001786,2-phenylthio-3-pyridinecarboxylic acid,2-phenylthio pyridine-3-carboxylic acid PubChem CID: 725029 IUPAC Name: 2-phenylsulfanylpyridine-3-carboxylic acid SMILES: C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)O

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PubChem CID	725029
CAS	35620-72-5
Molecular Weight (g/mol)	231.269
MDL Number	MFCD00052110
SMILES	C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)O
Synonym	2-phenylthio nicotinic acid,2-phenylsulfanyl nicotinic acid,2-phenylsulfanyl pyridine-3-carboxylic acid,3-pyridinecarboxylicacid, 2-phenylthio,3-pyridinecarboxylic acid, 2-phenylthio,2-phenylthiopyridine-3-carboxylic acid,maybridge1_001786,2-phenylthio-3-pyridinecarboxylic acid,2-phenylthio pyridine-3-carboxylic acid
IUPAC Name	2-phenylsulfanylpyridine-3-carboxylic acid
InChI Key	MGIDOIDQQMOYTH-UHFFFAOYSA-N
Molecular Formula	C12H9NO2S

3-(Phenylthio)thiophene, 97%

CAS: 16718-11-9 Molecular Formula: C10H8S2 Molecular Weight (g/mol): 192.29 MDL Number: MFCD00052043 InChI Key: WQYNBKIZHCGYCV-UHFFFAOYSA-N Synonym: 3-phenylthio thiophene,3-phenylsulfanyl thiophene,thiophene,3-phenylthio,3-phenylthiothiophene,acmc-1bt9i,3-phenylsulphanyl thiophene,phenyl-3-thienyl-sulphide PubChem CID: 2778902 IUPAC Name: 3-phenylsulfanylthiophene SMILES: S(C1=CSC=C1)C1=CC=CC=C1

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PubChem CID	2778902
CAS	16718-11-9
Molecular Weight (g/mol)	192.29
MDL Number	MFCD00052043
SMILES	S(C1=CSC=C1)C1=CC=CC=C1
Synonym	3-phenylthio thiophene,3-phenylsulfanyl thiophene,thiophene,3-phenylthio,3-phenylthiothiophene,acmc-1bt9i,3-phenylsulphanyl thiophene,phenyl-3-thienyl-sulphide
IUPAC Name	3-phenylsulfanylthiophene
InChI Key	WQYNBKIZHCGYCV-UHFFFAOYSA-N
Molecular Formula	C10H8S2

4-Nitrophenyl phenyl sulfide, 98%

CAS: 952-97-6 Molecular Formula: C12H9NO2S Molecular Weight (g/mol): 231.27 MDL Number: MFCD00024700 InChI Key: RJCBYBQJVXVVKB-UHFFFAOYSA-N Synonym: 4-nitrophenyl phenyl sulfide,4-nitrodiphenyl sulfide,1-nitro-4-phenylsulfanyl benzene,p-nitrodiphenyl sulfide,p-nitrophenyl phenyl sulfide,4-nitrodiphenyl thioether,1-nitro-4-phenylthio benzene,phenyl p-nitrophenylsulfide,benzene, 1-nitro-4-phenylthio,sulfide, p-nitrophenyl phenyl PubChem CID: 13720 IUPAC Name: 1-nitro-4-phenylsulfanylbenzene SMILES: [O-][N+](=O)C1=CC=C(SC2=CC=CC=C2)C=C1

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PubChem CID	13720
CAS	952-97-6
Molecular Weight (g/mol)	231.27
MDL Number	MFCD00024700
SMILES	[O-][N+](=O)C1=CC=C(SC2=CC=CC=C2)C=C1
Synonym	4-nitrophenyl phenyl sulfide,4-nitrodiphenyl sulfide,1-nitro-4-phenylsulfanyl benzene,p-nitrodiphenyl sulfide,p-nitrophenyl phenyl sulfide,4-nitrodiphenyl thioether,1-nitro-4-phenylthio benzene,phenyl p-nitrophenylsulfide,benzene, 1-nitro-4-phenylthio,sulfide, p-nitrophenyl phenyl
IUPAC Name	1-nitro-4-phenylsulfanylbenzene
InChI Key	RJCBYBQJVXVVKB-UHFFFAOYSA-N
Molecular Formula	C12H9NO2S

Chloromethyl methyl sulfide, 94%

CAS: 2373-51-5 Molecular Formula: C2H5ClS Molecular Weight (g/mol): 96.57 MDL Number: MFCD00000923 InChI Key: JWMLCCRPDOIBAV-UHFFFAOYSA-N Synonym: chloromethyl methyl sulfide,chlorodimethyl sulfide,methylthiomethyl chloride,chloro methylthio methane,methane, chloro methylthio,chlorodimethyl thioether,chloromethyl methyl thioether,monochlorodimethyl sulfide,chloro methylsulfanyl methane,clorodimetilsolfuro PubChem CID: 16916 IUPAC Name: chloro(methylsulfanyl)methane SMILES: CSCCl

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PubChem CID	16916
CAS	2373-51-5
Molecular Weight (g/mol)	96.57
MDL Number	MFCD00000923
SMILES	CSCCl
Synonym	chloromethyl methyl sulfide,chlorodimethyl sulfide,methylthiomethyl chloride,chloro methylthio methane,methane, chloro methylthio,chlorodimethyl thioether,chloromethyl methyl thioether,monochlorodimethyl sulfide,chloro methylsulfanyl methane,clorodimetilsolfuro
IUPAC Name	chloro(methylsulfanyl)methane
InChI Key	JWMLCCRPDOIBAV-UHFFFAOYSA-N
Molecular Formula	C2H5ClS

4-Amino-2-(methylthio)pyrimidine-5-carbonitrile, 97%

CAS: 770-30-9 Molecular Formula: C6H6N4S Molecular Weight (g/mol): 166.20 MDL Number: MFCD00023237 InChI Key: VYDHBDPZNLVELI-UHFFFAOYSA-N Synonym: 4-amino-2-methylthio pyrimidine-5-carbonitrile,4-amino-2-methylsulfanyl pyrimidine-5-carbonitrile,4-amino-2-methylthio-5-pyrimidinecarbonitrile,4-amino-2-methylsulfanyl-pyrimidine-5-carbonitrile,4-amino-2-methylthiopyrimidine-5-carbonitrile,maybridge1_004789,acmc-20a4j5,4-amino-5-cyano-2-methylthiopyrimidine,4-amino-5-cyano-2-methylthio pyrimidine PubChem CID: 295757 IUPAC Name: 4-amino-2-methylsulfanylpyrimidine-5-carbonitrile SMILES: CSC1=NC=C(C#N)C(N)=N1

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PubChem CID	295757
CAS	770-30-9
Molecular Weight (g/mol)	166.20
MDL Number	MFCD00023237
SMILES	CSC1=NC=C(C#N)C(N)=N1
Synonym	4-amino-2-methylthio pyrimidine-5-carbonitrile,4-amino-2-methylsulfanyl pyrimidine-5-carbonitrile,4-amino-2-methylthio-5-pyrimidinecarbonitrile,4-amino-2-methylsulfanyl-pyrimidine-5-carbonitrile,4-amino-2-methylthiopyrimidine-5-carbonitrile,maybridge1_004789,acmc-20a4j5,4-amino-5-cyano-2-methylthiopyrimidine,4-amino-5-cyano-2-methylthio pyrimidine
IUPAC Name	4-amino-2-methylsulfanylpyrimidine-5-carbonitrile
InChI Key	VYDHBDPZNLVELI-UHFFFAOYSA-N
Molecular Formula	C6H6N4S

Propyl Sulfide 98.0+%, TCI America™

CAS: 111-47-7 Molecular Formula: C6H14S Molecular Weight (g/mol): 118.24 MDL Number: MFCD00009379 InChI Key: ZERULLAPCVRMCO-UHFFFAOYSA-N Synonym: propyl sulfide,dipropyl sulfide,di-n-propyl sulfide,propane, 1,1'-thiobis,dipropyl thioether,propyl monosulfide,dipropyl sulphide,n-propyl sulfide,4-thiaheptane,1,1'-thiobispropane PubChem CID: 8118 IUPAC Name: 1-(propylsulfanyl)propane SMILES: CCCSCCC

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PubChem CID	8118
CAS	111-47-7
Molecular Weight (g/mol)	118.24
MDL Number	MFCD00009379
SMILES	CCCSCCC
Synonym	propyl sulfide,dipropyl sulfide,di-n-propyl sulfide,propane, 1,1'-thiobis,dipropyl thioether,propyl monosulfide,dipropyl sulphide,n-propyl sulfide,4-thiaheptane,1,1'-thiobispropane
IUPAC Name	1-(propylsulfanyl)propane
InChI Key	ZERULLAPCVRMCO-UHFFFAOYSA-N
Molecular Formula	C6H14S

Thioethers

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