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15717-17-6 | Benzenecarbothioamide, 2-chloro-
CAS No: 15717-17-6 Catalog No: AG001P9Q MDL No:MFCD00040955
Product Description
Catalog Number:
AG001P9Q
Chemical Name:
Benzenecarbothioamide, 2-chloro-
CAS Number:
15717-17-6
Molecular Formula:
C7H6ClNS
Molecular Weight:
171.6472
MDL Number:
MFCD00040955
IUPAC Name:
2-chlorobenzenecarbothioamide
InChI:
InChI=1S/C7H6ClNS/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
InChI Key:
FLQYOORLPNYQEV-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccccc1Cl
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.991g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.642g/mol
Monoisotopic Mass:
170.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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