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114964-24-8 | Cyclohexanecarbothioamide, N-(4-chlorophenyl)-2-oxo-
CAS No: 114964-24-8 Catalog No: AG000FI1 MDL No:
Product Description
Catalog Number:
AG000FI1
Chemical Name:
Cyclohexanecarbothioamide, N-(4-chlorophenyl)-2-oxo-
CAS Number:
114964-24-8
Molecular Formula:
C13H14ClNOS
Molecular Weight:
267.7744
IUPAC Name:
N-(4-chlorophenyl)-2-oxocyclohexane-1-carbothioamide
InChI:
InChI=1S/C13H14ClNOS/c14-9-5-7-10(8-6-9)15-13(17)11-3-1-2-4-12(11)16/h5-8,11H,1-4H2,(H,15,17)
InChI Key:
GWZDQDLHGZLSLE-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1C(=S)Nc1ccc(cc1)Cl
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.771g/mol
Monoisotopic Mass:
267.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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