2- (3-methylphenyl) ethanethioamide

CAT: 0024-sc-339686ASize: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-339686ASize:5 g

Selected

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

Quick Request Actions

CAS Number

6487-91-8

Chemical Information

2-(3-Methylphenyl)ethanethioamide

CAS Number	6487-91-8
PubChem CID	21504242
IUPAC Name	2-(3-methylphenyl)ethanethioamide
Molecular Formula	C9H11NS
Molecular Weight	165.26
XLogP	1.9
Topological Polar Surface Area	58.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	144

SMILES

CC1=CC(=CC=C1)CC(=S)N

InChI

InChI=1S/C9H11NS/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)

InChIKey

APDOZLDJDPJFLM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6487-91-8

CID: 21504242

Formula: C9H11NS

MW: 165.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.26
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	165.06122053
Monoisotopic Mass	165.06122053
Topological Polar Surface Area	58.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	144
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
sc-340728	2-[ (4-methylphenyl) sulfonyl]ethanethioamide
sc-340728A	2-[ (4-methylphenyl) sulfonyl]ethanethioamide
sc-340951A	2-[4- (4-methylphenyl) -1,3-thiazol-2-yl]ethanethioamide
sc-340951	2-[4- (4-methylphenyl) -1,3-thiazol-2-yl]ethanethioamide
sc-339651A	2- (3-chlorophenyl) ethanethioamide
sc-339651	2- (3-chlorophenyl) ethanethioamide
sc-259424A	2-[3- (Trifluoromethyl) phenoxy]ethanethioamide
sc-306156	2-[3- (Trifluoromethoxy) phenoxy]ethanethioamide
sc-306156A	2-[3- (Trifluoromethoxy) phenoxy]ethanethioamide
sc-259424	2-[3- (Trifluoromethyl) phenoxy]ethanethioamide

Catalog	Name
CJB70622-01	2-[4- (4-Methylphenyl) -1,3-thiazol-2-yl]ethanethioamide
413423-01	2- (3-Chlorophenyl) ethanethioamide
OR29622	2- (3-chlorophenoxy) ethanethioamide
BCA45144-01	2- (Pyridin-3-yl) ethanethioamide
CNB18278-01	2-[3- (Trifluoromethyl) phenyl]ethanethioamide
PC8500	2-[3- (Trifluoromethyl) phenoxy]ethanethioamide
VFA73665	2- (3,4-Dimethoxyphenyl) ethanethioamide
BG FC 1837-01	2-cyano-2- (1-methylbenzimidazol-2-yl) -N- (4-methylphenyl) ethanethioamide
OR1036277-01	2- (1,3-Dioxoisoindolin-2-yl) ethanethioamide
QHA36596-01	2- (1,3-Benzothiazol-2-yl) ethanethioamide