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35369-17-6 | 1H-Benzimidazole-2-carbothioamide(9CI)
CAS No: 35369-17-6 Catalog No: AG00CM3W MDL No:
Product Description
Catalog Number:
AG00CM3W
Chemical Name:
1H-Benzimidazole-2-carbothioamide(9CI)
CAS Number:
35369-17-6
IUPAC Name:
1H-benzimidazole-2-carbothioamide
InChI:
InChI=1S/C8H7N3S/c9-7(12)8-10-5-3-1-2-4-6(5)11-8/h1-4H,(H2,9,12)(H,10,11)
InChI Key:
SZWRKUVGGWEDCP-UHFFFAOYSA-N
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.225g/mol
Monoisotopic Mass:
177.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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