4- (Methylthio) thiophenol

CAT: 0127-OR11379Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR11379Size:1 Each

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1122-97-0

Synonyms

4- (Methylsulphanyl) benzenethiol, 4-Mercaptothioanisole, 4- (Methylthio) phenyl mercaptan

MDL Number

MFCD00082770

Purity

97%

Smiles

CSc1ccc(S)cc1

Storage Conditions

Store at 2-8°C

Chemical Information

4-(Methylsulfanyl)thiophenol

CAS Number	1122-97-0
PubChem CID	136896
IUPAC Name	4-methylsulfanylbenzenethiol
Molecular Formula	C7H8S2
Molecular Weight	156.3
XLogP	2.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	75

SMILES

CSC1=CC=C(C=C1)S

InChI

InChI=1S/C7H8S2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3

InChIKey

KYMOWQQIZINTJZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1122-97-0

CID: 136896

Formula: C7H8S2

MW: 156.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.3
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	156.00674260
Monoisotopic Mass	156.00674260
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	75
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC7773-01	4- (Trifluoromethyl) thiophenol
PC6196	4- (Trifluoroacetyl) thiophenol
PC405593	4- (Pentafluorothio) thiophenol
PC7439V-01	4- (Trifluoromethoxy) thiophenol
OR10686-01	4- (tert-Butyl) thiophenol
OR1095161-01	2-methyl-4- (methylthio) thiophene
OR1094506	4-Bromo-2- (methylthio) thiophene
OR1092970-01	3-bromo-4- (methylthio) thiophene
OR1090914-01	2-ethyl-4- (methylthio) thiophene
PC1551	2-Nitro-4- (trifluoromethyl) thiophenol

Catalog	Name
283575-01	4-Methylthio thiophenol
120001	THIOPHENOL
467558-01	Thiophenol discontinued
T11725	Thiophenol 97%
S-3495	Thiophenol - 1ML
sc-260595	3- (Trifluoromethoxy) thiophenol
sc-256659	4- (Trifluoromethoxy) thiophenol
sc-336142	4- (Diethylamino) thiophenol
sc-259391	2- (Trifluoromethoxy) thiophenol
sc-322885A	4- (Dimethylamino) thiophenol