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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(Methylthio)acetonitrile, 99%

CAS: 35120-10-6 Molecular Formula: C3H5NS Molecular Weight (g/mol): 87.14 MDL Number: MFCD00001925 InChI Key: ZRIGDBVSVFSVLL-UHFFFAOYSA-N Synonym: methylthio acetonitrile,methylthioacetonitrile,methylthio-acetonitrile,2-methylsulfanyl acetonitrile,acetonitrile, methylthio,ch3sch2cn,acmc-1afh2,methylsulfanyl acetonitrile #,inchi=1/c3h5ns/c1-5-3-2-4/h3h2,1h PubChem CID: 99295 IUPAC Name: 2-methylsulfanylacetonitrile SMILES: CSCC#N

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PubChem CID	99295
CAS	35120-10-6
Molecular Weight (g/mol)	87.14
MDL Number	MFCD00001925
SMILES	CSCC#N
Synonym	methylthio acetonitrile,methylthioacetonitrile,methylthio-acetonitrile,2-methylsulfanyl acetonitrile,acetonitrile, methylthio,ch3sch2cn,acmc-1afh2,methylsulfanyl acetonitrile #,inchi=1/c3h5ns/c1-5-3-2-4/h3h2,1h
IUPAC Name	2-methylsulfanylacetonitrile
InChI Key	ZRIGDBVSVFSVLL-UHFFFAOYSA-N
Molecular Formula	C3H5NS

Phenyl sulfide, 99%

CAS: 139-66-2 Molecular Formula: C12H10S Molecular Weight (g/mol): 186.27 MDL Number: MFCD00003064 InChI Key: LTYMSROWYAPPGB-UHFFFAOYSA-N Synonym: diphenyl sulfide,phenyl sulfide,phenylthiobenzene,diphenyl sulphide,diphenyl thioether,benzene, 1,1'-thiobis,diphenylmercaptan,diphenylthiamethane,diphenyl monosulfide,sulfide, diphenyl PubChem CID: 8766 ChEBI: CHEBI:38959 IUPAC Name: phenylsulfanylbenzene SMILES: S(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID	8766
CAS	139-66-2
Molecular Weight (g/mol)	186.27
ChEBI	CHEBI:38959
MDL Number	MFCD00003064
SMILES	S(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	diphenyl sulfide,phenyl sulfide,phenylthiobenzene,diphenyl sulphide,diphenyl thioether,benzene, 1,1'-thiobis,diphenylmercaptan,diphenylthiamethane,diphenyl monosulfide,sulfide, diphenyl
IUPAC Name	phenylsulfanylbenzene
InChI Key	LTYMSROWYAPPGB-UHFFFAOYSA-N
Molecular Formula	C12H10S

2-(Benzylthio)ethanol, 98%

CAS: 26524-88-9 Molecular Formula: C9H12OS Molecular Weight (g/mol): 168.254 MDL Number: MFCD00014039 InChI Key: ANMHSIXPUAKNLM-UHFFFAOYSA-N Synonym: 2-benzylthio ethanol,2-hydroxyethyl benzyl sulfide,2-benzylsulfanyl ethanol,2-hydroxyethyl-benzyl sulphide,2-benzylsulfanyl ethan-1-ol,2-phenylmethylthio ethanol,2-phenylmethylsulfanyl ethanol,2-phenylmethylthio ethan-1-ol,2-hydroxyethylbenzylsulfide,2-benzylthioethanol PubChem CID: 77486 IUPAC Name: 2-benzylsulfanylethanol SMILES: C1=CC=C(C=C1)CSCCO

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PubChem CID	77486
CAS	26524-88-9
Molecular Weight (g/mol)	168.254
MDL Number	MFCD00014039
SMILES	C1=CC=C(C=C1)CSCCO
Synonym	2-benzylthio ethanol,2-hydroxyethyl benzyl sulfide,2-benzylsulfanyl ethanol,2-hydroxyethyl-benzyl sulphide,2-benzylsulfanyl ethan-1-ol,2-phenylmethylthio ethanol,2-phenylmethylsulfanyl ethanol,2-phenylmethylthio ethan-1-ol,2-hydroxyethylbenzylsulfide,2-benzylthioethanol
IUPAC Name	2-benzylsulfanylethanol
InChI Key	ANMHSIXPUAKNLM-UHFFFAOYSA-N
Molecular Formula	C9H12OS

6-(Methylthio)pyridine-3-boronic acid, 95%, Thermo Scientific™

CAS: 321438-86-2 Molecular Formula: C6H8BNO2S Molecular Weight (g/mol): 169.005 MDL Number: MFCD03788238 InChI Key: UXWKVPJOPVIIRU-UHFFFAOYSA-N Synonym: 2-methylthiopyridine-5-boronic acid,6-methylthio pyridin-3-ylboronic acid,2-methylthio-5-pyridinyl-boronic acid,2-methylthio-pyridine-5-boronic acid,6-methylthio pyridin-3-yl boronic acid,6-methylsulphanyl pyridine-3-boronic acid,6-methylthio pyridin-3-yl-3-boronic acid,6-methylthio pyridine-3-boronic acid,5-borono-2-methylmercapto pyridine,6-methylsulfanyl pyridin-3-ylboronic acid PubChem CID: 2762705 IUPAC Name: (6-methylsulfanylpyridin-3-yl)boronic acid SMILES: B(C1=CN=C(C=C1)SC)(O)O

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PubChem CID	2762705
CAS	321438-86-2
Molecular Weight (g/mol)	169.005
MDL Number	MFCD03788238
SMILES	B(C1=CN=C(C=C1)SC)(O)O
Synonym	2-methylthiopyridine-5-boronic acid,6-methylthio pyridin-3-ylboronic acid,2-methylthio-5-pyridinyl-boronic acid,2-methylthio-pyridine-5-boronic acid,6-methylthio pyridin-3-yl boronic acid,6-methylsulphanyl pyridine-3-boronic acid,6-methylthio pyridin-3-yl-3-boronic acid,6-methylthio pyridine-3-boronic acid,5-borono-2-methylmercapto pyridine,6-methylsulfanyl pyridin-3-ylboronic acid
IUPAC Name	(6-methylsulfanylpyridin-3-yl)boronic acid
InChI Key	UXWKVPJOPVIIRU-UHFFFAOYSA-N
Molecular Formula	C6H8BNO2S

(Ethylthio)acetone, 95%

CAS: 20996-62-7 Molecular Formula: C5H10OS Molecular Weight (g/mol): 118.194 MDL Number: MFCD00026976 InChI Key: ZKDXKBIOEVBFGV-UHFFFAOYSA-N PubChem CID: 88750 IUPAC Name: 1-ethylsulfanylpropan-2-one SMILES: CCSCC(=O)C

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PubChem CID	88750
CAS	20996-62-7
Molecular Weight (g/mol)	118.194
MDL Number	MFCD00026976
SMILES	CCSCC(=O)C
IUPAC Name	1-ethylsulfanylpropan-2-one
InChI Key	ZKDXKBIOEVBFGV-UHFFFAOYSA-N
Molecular Formula	C5H10OS

Cyclohexyl methyl sulfide, 97%

CAS: 7133-37-1 Molecular Formula: C7H14S Molecular Weight (g/mol): 130.25 MDL Number: MFCD00039460 InChI Key: QQBIOCGHCKNYGP-UHFFFAOYSA-N Synonym: cyclohexyl methyl sulfide,methylthio cyclohexane,sulfide, cyclohexyl methyl,cyclohexane, methylthio,methylthiocyclohexane,methylcyclohexylsulfide,cyclohexylmethylsulphide,cyclohexyl methylsulfide,methyl cyclohexyl sulfide,methylsulfanyl cyclohexane PubChem CID: 81553 SMILES: CSC1CCCCC1

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PubChem CID	81553
CAS	7133-37-1
Molecular Weight (g/mol)	130.25
MDL Number	MFCD00039460
SMILES	CSC1CCCCC1
Synonym	cyclohexyl methyl sulfide,methylthio cyclohexane,sulfide, cyclohexyl methyl,cyclohexane, methylthio,methylthiocyclohexane,methylcyclohexylsulfide,cyclohexylmethylsulphide,cyclohexyl methylsulfide,methyl cyclohexyl sulfide,methylsulfanyl cyclohexane
InChI Key	QQBIOCGHCKNYGP-UHFFFAOYSA-N
Molecular Formula	C7H14S

PubChem CID	8766
CAS	139-66-2
Molecular Weight (g/mol)	186.27
ChEBI	CHEBI:38959
MDL Number	MFCD00003064
SMILES	S(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	diphenyl sulfide,phenyl sulfide,phenylthiobenzene,diphenyl sulphide,diphenyl thioether,benzene, 1,1'-thiobis,diphenylmercaptan,diphenylthiamethane,diphenyl monosulfide,sulfide, diphenyl
IUPAC Name	phenylsulfanylbenzene
InChI Key	LTYMSROWYAPPGB-UHFFFAOYSA-N
Molecular Formula	C12H10S

Diethyl sulfide, 96%

CAS: 352-93-2 Molecular Formula: C4H10S Molecular Weight (g/mol): 90.18 MDL Number: MFCD00009270 InChI Key: LJSQFQKUNVCTIA-UHFFFAOYSA-N Synonym: diethyl sulfide,ethyl sulfide,ethyl thioether,3-thiapentane,diethylthioether,thioethyl ether,ethylthioethane,1,1'-thiobisethane,diethyl sulphide,ethane, 1,1'-thiobis PubChem CID: 9609 ChEBI: CHEBI:27710 IUPAC Name: ethylsulfanylethane SMILES: CCSCC

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PubChem CID	9609
CAS	352-93-2
Molecular Weight (g/mol)	90.18
ChEBI	CHEBI:27710
MDL Number	MFCD00009270
SMILES	CCSCC
Synonym	diethyl sulfide,ethyl sulfide,ethyl thioether,3-thiapentane,diethylthioether,thioethyl ether,ethylthioethane,1,1'-thiobisethane,diethyl sulphide,ethane, 1,1'-thiobis
IUPAC Name	ethylsulfanylethane
InChI Key	LJSQFQKUNVCTIA-UHFFFAOYSA-N
Molecular Formula	C4H10S

2-(Methylthio)ethanol, 99%

CAS: 5271-38-5 Molecular Formula: C3H8OS Molecular Weight (g/mol): 92.16 MDL Number: MFCD00002908 InChI Key: WBBPRCNXBQTYLF-UHFFFAOYSA-N Synonym: 2-methylthio ethanol,methylthioethanol,ethanol, 2-methylthio,2-hydroxyethyl methyl sulfide,2-methylmercaptoethanol,2-methylsulfanyl ethanol,2-methylsulfanyl-ethanol,beta-hydroxyethyl methyl sulfide,2-methylthioethanol PubChem CID: 78925 ChEBI: CHEBI:63861 IUPAC Name: 2-methylsulfanylethanol SMILES: CSCCO

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PubChem CID	78925
CAS	5271-38-5
Molecular Weight (g/mol)	92.16
ChEBI	CHEBI:63861
MDL Number	MFCD00002908
SMILES	CSCCO
Synonym	2-methylthio ethanol,methylthioethanol,ethanol, 2-methylthio,2-hydroxyethyl methyl sulfide,2-methylmercaptoethanol,2-methylsulfanyl ethanol,2-methylsulfanyl-ethanol,beta-hydroxyethyl methyl sulfide,2-methylthioethanol
IUPAC Name	2-methylsulfanylethanol
InChI Key	WBBPRCNXBQTYLF-UHFFFAOYSA-N
Molecular Formula	C3H8OS

(2-Benzimidazolylthio)acetic acid, 98%

CAS: 3042-00-0 Molecular Formula: C9H7N2O2S Molecular Weight (g/mol): 207.23 MDL Number: MFCD00022673 InChI Key: UYNVBLJQBCTRKV-UHFFFAOYSA-M Synonym: 2-benzimidazolythio acetic acid,2-benzimidazolylthio-acetic acid,2-benzimidazolylthio acetic acid,1h-benzoimidazol-2-ylsulfanyl acetic acid,1h-benzimidazol-2-ylthio acetic acid,2-1h-benzo d imidazol-2-yl thio acetic acid,2-1h-1,3-benzodiazol-2-ylsulfanyl acetic acid,1h-benzimidazol-2-ylsulfanyl acetic acid,1h-1,3-benzodiazol-2-ylsulfanyl acetic acid,2-benzimidazol-2-ylthioacetic acid PubChem CID: 137805 IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)acetic acid SMILES: [O-]C(=O)CSC1=NC2=CC=CC=C2N1

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PubChem CID	137805
CAS	3042-00-0
Molecular Weight (g/mol)	207.23
MDL Number	MFCD00022673
SMILES	[O-]C(=O)CSC1=NC2=CC=CC=C2N1
Synonym	2-benzimidazolythio acetic acid,2-benzimidazolylthio-acetic acid,2-benzimidazolylthio acetic acid,1h-benzoimidazol-2-ylsulfanyl acetic acid,1h-benzimidazol-2-ylthio acetic acid,2-1h-benzo d imidazol-2-yl thio acetic acid,2-1h-1,3-benzodiazol-2-ylsulfanyl acetic acid,1h-benzimidazol-2-ylsulfanyl acetic acid,1h-1,3-benzodiazol-2-ylsulfanyl acetic acid,2-benzimidazol-2-ylthioacetic acid
IUPAC Name	2-(1H-benzimidazol-2-ylsulfanyl)acetic acid
InChI Key	UYNVBLJQBCTRKV-UHFFFAOYSA-M
Molecular Formula	C9H7N2O2S

Flupentixol dihydrochloride, Thermo Scientific Chemicals

CAS: 2413-38-9 Molecular Weight (g/mol): 507.44 InChI Key: IOVDQEIIMOZNNA-MHKBYHAFSA-N IUPAC Name: dihydrogen 2-(4-{3-[(9Z)-2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethan-1-ol dichloride SMILES: [H+].[H+].[Cl-].[Cl-].OCCN1CCN(CC\C=C2\C3=CC=CC=C3SC3=CC=C(C=C23)C(F)(F)F)CC1

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CAS	2413-38-9
Molecular Weight (g/mol)	507.44
SMILES	[H+].[H+].[Cl-].[Cl-].OCCN1CCN(CC\C=C2\C3=CC=CC=C3SC3=CC=C(C=C23)C(F)(F)F)CC1
IUPAC Name	dihydrogen 2-(4-{3-[(9Z)-2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethan-1-ol dichloride
InChI Key	IOVDQEIIMOZNNA-MHKBYHAFSA-N

5-Amino-2-(methylthio)pyrimidine, 96%, Thermo Scientific™

CAS: 42382-46-7 Molecular Formula: C5H7N3S Molecular Weight (g/mol): 141.19 MDL Number: MFCD10697095 InChI Key: NRJNAXLXHFQYEX-UHFFFAOYSA-N Synonym: 5-amino-2-methylthio pyrimidine,2-methylthio pyrimidin-5-amine,2-methylsulfanyl pyrimidin-5-amine,2-methylmercapto-5-aminopyrimidine,5-pyrimidinamine,2-methylthio,2-methylsulfanylpyrimidin-5-ylamine,2-methylsulfanyl-5-pyrimidinamine,2-methylthio-5-pyrimidinamine,5-pyrimidinamine, 2-methylthio,5-pyrimidinamine, 2-methylthio-9ci PubChem CID: 12215991 IUPAC Name: 2-methylsulfanylpyrimidin-5-amine SMILES: CSC1=NC=C(N)C=N1

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PubChem CID	12215991
CAS	42382-46-7
Molecular Weight (g/mol)	141.19
MDL Number	MFCD10697095
SMILES	CSC1=NC=C(N)C=N1
Synonym	5-amino-2-methylthio pyrimidine,2-methylthio pyrimidin-5-amine,2-methylsulfanyl pyrimidin-5-amine,2-methylmercapto-5-aminopyrimidine,5-pyrimidinamine,2-methylthio,2-methylsulfanylpyrimidin-5-ylamine,2-methylsulfanyl-5-pyrimidinamine,2-methylthio-5-pyrimidinamine,5-pyrimidinamine, 2-methylthio,5-pyrimidinamine, 2-methylthio-9ci
IUPAC Name	2-methylsulfanylpyrimidin-5-amine
InChI Key	NRJNAXLXHFQYEX-UHFFFAOYSA-N
Molecular Formula	C5H7N3S

Thiomorpholine, 97%

CAS: 123-90-0 Molecular Formula: C₄H₉NS Molecular Weight (g/mol): 103.19 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)	103.19
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

Ethyl methyl sulfide, 97%

CAS: 624-89-5 Molecular Formula: C3H8S Molecular Weight (g/mol): 76.16 MDL Number: MFCD00009268 InChI Key: WXEHBUMAEPOYKP-UHFFFAOYSA-N Synonym: ethyl methyl sulfide,methylthioethane,ethane, methylthio,methyl ethyl sulfide,ethyl methyl sulphide,methyl ethyl sulphide,sulfide, ethyl methyl,unii-mr1gzs62tm,methylthio ethane,methylsulfanyl ethane PubChem CID: 12230 IUPAC Name: methylsulfanylethane SMILES: CCSC

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PubChem CID	12230
CAS	624-89-5
Molecular Weight (g/mol)	76.16
MDL Number	MFCD00009268
SMILES	CCSC
Synonym	ethyl methyl sulfide,methylthioethane,ethane, methylthio,methyl ethyl sulfide,ethyl methyl sulphide,methyl ethyl sulphide,sulfide, ethyl methyl,unii-mr1gzs62tm,methylthio ethane,methylsulfanyl ethane
IUPAC Name	methylsulfanylethane
InChI Key	WXEHBUMAEPOYKP-UHFFFAOYSA-N
Molecular Formula	C3H8S

Di-n-butyl sulfide, 98%

CAS: 544-40-1 Molecular Formula: C8H18S Molecular Weight (g/mol): 146.29 MDL Number: MFCD00009468 InChI Key: HTIRHQRTDBPHNZ-UHFFFAOYSA-N Synonym: dibutyl sulfide,butyl sulfide,n-butyl sulfide,butylthiobutane,di-n-butyl sulfide,butane, 1,1'-thiobis,butyl monosulfide,dibutyl thioether,thiononane-5,n-dibutyl sulfide PubChem CID: 11002 IUPAC Name: 1-butylsulfanylbutane SMILES: CCCCSCCCC

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PubChem CID	11002
CAS	544-40-1
Molecular Weight (g/mol)	146.29
MDL Number	MFCD00009468
SMILES	CCCCSCCCC
Synonym	dibutyl sulfide,butyl sulfide,n-butyl sulfide,butylthiobutane,di-n-butyl sulfide,butane, 1,1'-thiobis,butyl monosulfide,dibutyl thioether,thiononane-5,n-dibutyl sulfide
IUPAC Name	1-butylsulfanylbutane
InChI Key	HTIRHQRTDBPHNZ-UHFFFAOYSA-N
Molecular Formula	C8H18S

Thioethers

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