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Home > Imidazoles > 121690-16-2
121690-16-2 | 1H-Benzimidazole-5-carboxamide, 2,3-dihydro-2-thioxo-
CAS No: 121690-16-2 Catalog No: AG0015KY MDL No:
Product Description
Catalog Number:
AG0015KY
Chemical Name:
1H-Benzimidazole-5-carboxamide, 2,3-dihydro-2-thioxo-
CAS Number:
121690-16-2
Molecular Formula:
C8H7N3OS
Molecular Weight:
193.2257
IUPAC Name:
2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
InChI:
InChI=1S/C8H7N3OS/c9-7(12)4-1-2-5-6(3-4)11-8(13)10-5/h1-3H,(H2,9,12)(H2,10,11,13)
InChI Key:
MQSRCSVSMSOISM-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc2c(c1)[nH]c(=S)[nH]2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
193.224g/mol
Monoisotopic Mass:
193.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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