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101078-48-2 | Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl-
CAS No: 101078-48-2 Catalog No: AG0003O3 MDL No:
Product Description
Catalog Number:
AG0003O3
Chemical Name:
Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl-
CAS Number:
101078-48-2
Molecular Formula:
C14H12ClNS
Molecular Weight:
261.7698
IUPAC Name:
N-(4-chlorophenyl)-4-methylbenzenecarbothioamide
InChI:
InChI=1S/C14H12ClNS/c1-10-2-4-11(5-3-10)14(17)16-13-8-6-12(15)7-9-13/h2-9H,1H3,(H,16,17)
InChI Key:
MVTDYKYUUXHRDB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=S)Nc1ccc(cc1)Cl
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.038g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.767g/mol
Monoisotopic Mass:
261.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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