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15563-47-0 | Benzenecarbothioamide, N,N,4-trimethyl-
CAS No: 15563-47-0 Catalog No: AG001O2W MDL No:
Product Description
Catalog Number:
AG001O2W
Chemical Name:
Benzenecarbothioamide, N,N,4-trimethyl-
CAS Number:
15563-47-0
Molecular Formula:
C10H13NS
Molecular Weight:
179.2819
IUPAC Name:
N,N,4-trimethylbenzenecarbothioamide
InChI:
InChI=1S/C10H13NS/c1-8-4-6-9(7-5-8)10(12)11(2)3/h4-7H,1-3H3
InChI Key:
WZADGDPHGLPABW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=S)N(C)C
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.281g/mol
Monoisotopic Mass:
179.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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