3-Methyl (thiobenzamide)

CAT: 0024-sc-276336Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-276336Size:1 g

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CAS Number

2362-63-2

Chemical Information

3-Methylbenzenecarbothioamide

CAS Number	2362-63-2
PubChem CID	736826
IUPAC Name	3-methylbenzenecarbothioamide
Molecular Formula	C8H9NS
Molecular Weight	151.23
XLogP	1.8
Topological Polar Surface Area	58.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	133

SMILES

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

InChI

InChI=1S/C8H9NS/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)

InChIKey

NUFFXGAGGYWFAV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2362-63-2

CID: 736826

Formula: C8H9NS

MW: 151.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	151.23
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	151.04557046
Monoisotopic Mass	151.04557046
Topological Polar Surface Area	58.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	133
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-251231	Thiobenzamide
sc-356722A	3-Fluoro-4- (trifluoromethyl) thiobenzamide
sc-266923	3,5-Bis (trifluoromethyl) thiobenzamide
sc-284163A	4-Benzyloxy-thiobenzamide
sc-284163	4-Benzyloxy-thiobenzamide
sc-356722	3-Fluoro-4- (trifluoromethyl) thiobenzamide
sc-321120	2- (Phthalimidomethyl) thiobenzamide
sc-261529	4- (Trifluoromethoxy) thiobenzamide
sc-256670	4-[5- (Trifluoromethyl) pyridin-2-yloxy]thiobenzamide
sc-482839	Methyl 3-methyl-3- (methylamino) butanoate

Catalog	Name
PC8573	3- (Trifluoromethyl) thiobenzamide
PC104253	3- (Trifluoromethoxy) thiobenzamide
PC8589	3-Fluoro-4- (trifluoromethyl) thiobenzamide
OR29599-01	3- (1H-Pyrrol-1-yl) thiobenzamide
B189006	Thiobenzamide-2,3,4,5,6-d5
T10220-01	Thiobenzamide 97%
TRC-T896405-1G	4-(Trifluoromethyl)thiobenzamide
279737-01	4-Hydroxy-thiobenzamide
275697-01	4-Ethyl-thiobenzamide
PC7439U-01	4- (Trifluoromethoxy) thiobenzamide