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2548-79-0 | 3-Chlorobenzothioamide
CAS No: 2548-79-0 Catalog No: AG003JBS MDL No:MFCD00276993
Product Description
Catalog Number:
AG003JBS
Chemical Name:
3-Chlorobenzothioamide
CAS Number:
2548-79-0
Molecular Formula:
C7H6ClNS
Molecular Weight:
171.6472
MDL Number:
MFCD00276993
IUPAC Name:
3-chlorobenzenecarbothioamide
InChI:
InChI=1S/C7H6ClNS/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
InChI Key:
OQEBJXXIPHYYEG-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C(=S)N
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:
2.1
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