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Home > Imidazoles > 1520864-90-7
1520864-90-7 | Benzimidazole-6-thiocarboxamide
CAS No: 1520864-90-7 Catalog No: AG01FEXK MDL No:MFCD28166171
Product Description
Catalog Number:
AG01FEXK
Chemical Name:
Benzimidazole-6-thiocarboxamide
CAS Number:
1520864-90-7
Molecular Formula:
C8H7N3S
Molecular Weight:
177.2263
MDL Number:
MFCD28166171
IUPAC Name:
3H-benzimidazole-5-carbothioamide
InChI:
InChI=1S/C8H7N3S/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-4H,(H2,9,12)(H,10,11)
InChI Key:
SWADWMCPVIOXDO-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc2c(c1)[nH]cn2
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:
1.3
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