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127351-05-7 | Benzenecarbothioamide, N-(3,4-dichlorophenyl)-4-methyl-
CAS No: 127351-05-7 Catalog No: AG000WXU MDL No:
Product Description
Catalog Number:
AG000WXU
Chemical Name:
Benzenecarbothioamide, N-(3,4-dichlorophenyl)-4-methyl-
CAS Number:
127351-05-7
Molecular Formula:
C14H11Cl2NS
Molecular Weight:
296.2148
IUPAC Name:
N-(3,4-dichlorophenyl)-4-methylbenzenecarbothioamide
InChI:
InChI=1S/C14H11Cl2NS/c1-9-2-4-10(5-3-9)14(18)17-11-6-7-12(15)13(16)8-11/h2-8H,1H3,(H,17,18)
InChI Key:
IFEUPGWJMCGPEK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=S)Nc1ccc(c(c1)Cl)Cl
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.999g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.209g/mol
Monoisotopic Mass:
294.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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