N, N-Dimethylbenzothioamide

CAT: 0127-OR1099222-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1099222-01Size:250 mg

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CAS Number

15482-60-7

MDL Number

MFCD00119253

Purity

97%

Smiles

C1cccc (c1) C (=S) N (C) C

Chemical Information

N,N-Dimethylbenzenecarbothioamide

CAS Number	15482-60-7
PubChem CID	139941
IUPAC Name	N,N-dimethylbenzenecarbothioamide
Molecular Formula	C9H11NS
Molecular Weight	165.26
XLogP	1.2
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	136

SMILES

CN(C)C(=S)C1=CC=CC=C1

InChI

InChI=1S/C9H11NS/c1-10(2)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3

InChIKey

OPXCUUJACRRYMC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15482-60-7

CID: 139941

Formula: C9H11NS

MW: 165.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.26
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	165.06122053
Monoisotopic Mass	165.06122053
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
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

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