2-Methylbenzyl mercaptan

CAT: 0926-PAA09200-01Size: 0.5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-PAA09200-01Size:0.5 g

Selected

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

Quick Request Actions

CAS Number

14092-00-3

MDL Number

MFCD00465079

Smiles

CC1=CC=CC=C1SC

Molecular Formula

C8H10S

Molecular Weight

138.23 g/mol

Controlled

Chemical Information

1-Methyl-2-(methylsulfanyl)benzene

CAS Number	14092-00-3
PubChem CID	259743
IUPAC Name	1-methyl-2-methylsulfanylbenzene
Molecular Formula	C8H10S
Molecular Weight	138.23
XLogP	2.8
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	80

SMILES

CC1=CC=CC=C1SC

InChI

InChI=1S/C8H10S/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3

InChIKey

BHWJMPDCCDMCKC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14092-00-3

CID: 259743

Formula: C8H10S

MW: 138.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.23
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	138.05032149
Monoisotopic Mass	138.05032149
Topological Polar Surface Area	25.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	80.6
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
FD36233	2,4-Dichlorobenzyl mercaptan
FM36760-01	2-Methylbenzyl chloride
FT76361-01	Triphenylmethyl mercaptan
LKB49829-01	4-Bromo-2-fluorobenzyl mercaptan
JSB62606	(2-Methylbenzyl) hydrazine hydrochloride
AAB43505-01	N- (2-Methylbenzyl) cyclopropanamine
NCA36836-01	(2-Methylbenzyl) triphenylphosphonium chloride
FM112278-01	1- (2-Methylbenzyl) piperazine
GAA25866	4-Chlorobenzyl Mercaptan
ABA36009	Tert-Hexadecyl Mercaptan

Catalog	Name
sc-262093A	4-Methylbenzyl mercaptan
sc-321756	2-Fluorobenzyl mercaptan
264088-01	2-Bromobenzyl mercaptan
sc-321888A	2-Trifluoromethylbenzyl mercaptan
sc-335542	2,5-Difluorobenzyl mercaptan
D14125-01	2,4-Dichlorobenzyl mercaptan
sc-322098	2,6-Difluorobenzyl mercaptan
D1039-75	Dansylamidoethyl Mercaptan (2- (5-Dimethylaminonaphth-1-ylsulfonamido) ethyl Mercaptan)
MBS654110-01	Dansylamidoethyl Mercaptan (2-(5-Dimethylaminonaphth-1-ylsulfonamido)ethyl Mercaptan)
TRC-T219520-1G	2,4,6-Trimethylbenzyl mercaptan