2-Methylthiophenol

CAT: 0127-OR9990-01Size: 5 gDry Ice: NoHazardous: No

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CAS Number

137-06-4

Synonyms

2-Methylbenzenethiol, 2-Thiocresol, 2-Thiotoluene

MDL Number

MFCD00004838

Purity

98%

Smiles

Cc1ccccc1S

Chemical Information

2-Thiocresol

2-Methylbenzenethiol is a thiol.

CAS Number	137-06-4
PubChem CID	8712
IUPAC Name	2-methylbenzenethiol
Molecular Formula	C7H8S
Molecular Weight	124.21
XLogP	2.9
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	70

SMILES

CC1=CC=CC=C1S

InChI

InChI=1S/C7H8S/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3

InChIKey

LXUNZSDDXMPKLP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 137-06-4

CID: 8712

Formula: C7H8S

MW: 124.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	124.21
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	124.03467143
Monoisotopic Mass	124.03467143
Topological Polar Surface Area	1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	70.8
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
OR5559	3-Methylthiophenol
PC01487-01	2-Fluoro-3-methylthiophenol
OR43548-01	4-Methylthiophenol
OR913154-01	4-Hydroxy-3-methylthiophenol
PC200312	4-Fluoro-3-methylthiophenol
PC7993	3-Fluoro-4-methylthiophenol
OR28832	2-Methylthiophene
OR1091493-01	2- (2,2-dibromovinyl) -4-methylthiophene
OR1094009-01	2- (2,2-dibromovinyl) -5-methylthiophene
PC1699	Potassium (2-methylthiophenyl) trifluoroborate

Catalog	Name
sc-323031A	4-Chloro-2-methylthiophenol
TAA85805	2-Chloro-6-methylthiophenol
sc-284597A	5-Chloro-2-methylthiophenol
sc-323180	4-Methoxy-2-methylthiophenol
sc-323486	5-Fluoro-2-methylthiophenol
FT175638-01	5-tert-Butyl-2-methylthiophenol
sc-323049	4-Chloro-3-methylthiophenol
sc-323136	4-Fluoro-3-methylthiophenol
H 038-005	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
290342-01	2,2,2-Trifluoroethyl 2,5-bis (2,2,2-trifluoroethoxy) benzoate