2-Mercapto-N-methylbenzamide

CAT: 0926-FM45433-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FM45433-01Size:5 g

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CAS Number

20054-45-9

MDL Number

MFCD00136334

Smiles

CNC (=O) C1=CC=CC=C1S

Molecular Formula

C8H9NOS

Molecular Weight

167.23 g/mol

Controlled

Chemical Information

2-Mercapto-N-methylbenzamide

CAS Number	20054-45-9
PubChem CID	4525601
IUPAC Name	N-methyl-2-sulfanylbenzamide
Molecular Formula	C8H9NOS
Molecular Weight	167.23
XLogP	2.1
Topological Polar Surface Area	30.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	149

SMILES

CNC(=O)C1=CC=CC=C1S

InChI

InChI=1S/C8H9NOS/c1-9-8(10)6-4-2-3-5-7(6)11/h2-5,11H,1H3,(H,9,10)

InChIKey

VIFOAZNEQRHREM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20054-45-9

CID: 4525601

Formula: C8H9NOS

MW: 167.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.23
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	167.04048508
Monoisotopic Mass	167.04048508
Topological Polar Surface Area	30.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149
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
ICA08422	2-Iodo-N-methylbenzamide
FFA25062-01	N,2-Dimethoxy-N-methylbenzamide
WAA27634-01	2-Ethoxy-N-methylbenzamide
AAA61393	N-Methylbenzamide
UTB71071-01	N-Cyclopentyl-2-hydroxy-N-methylbenzamide
YCA39340-01	2-Amino-N-cyclohexyl-N-methylbenzamide
IFA77641-01	2-Amino-N-methoxy-N-methylbenzamide
ABC75534-01	2- (Difluoromethoxy) -N-methoxy-N-methylbenzamide
XZB44004-01	N- (2-Carbamothioyl-2-methylethyl) -N-methylbenzamide
LCA79977-01	N,2-Dihydroxy-5-methylbenzamide

Catalog	Name
283686-01	2-Mercapto-N-methylbenzamide
OR76859-01	2-Ethoxy-n-methylbenzamide
OR922451-01	2-Hydroxy-N-methylbenzamide
459814-01	N, N-Diethyl-2-methylbenzamide
002341	2-Amino-N-methylbenzamide
sc-259696A	2-Bromo-N-methylbenzamide
PC100152-01	2-Fluoro-N-methylbenzamide
OR91569-01	2-Iodo-N-methylbenzamide
OR1082191	N,2-dimethoxy-N-methylbenzamide
OR470601-01	2- (Hydroxymethyl) -N-methylbenzamide