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117013-65-7 | Benzenecarbothioamide, 4-chloro-N-(3,4-dichlorophenyl)-
CAS No: 117013-65-7 Catalog No: AG000DJP MDL No:
Product Description
Catalog Number:
AG000DJP
Chemical Name:
Benzenecarbothioamide, 4-chloro-N-(3,4-dichlorophenyl)-
CAS Number:
117013-65-7
Molecular Formula:
C13H8Cl3NS
Molecular Weight:
316.6333
IUPAC Name:
4-chloro-N-(3,4-dichlorophenyl)benzenecarbothioamide
InChI:
InChI=1S/C13H8Cl3NS/c14-9-3-1-8(2-4-9)13(18)17-10-5-6-11(15)12(16)7-10/h1-7H,(H,17,18)
InChI Key:
YTXOWKYHXFDMER-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=S)Nc1ccc(c(c1)Cl)Cl
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.944g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.624g/mol
Monoisotopic Mass:
314.944g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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