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Home > Imidazoles > 106135-31-3
106135-31-3 | 1,3-DIHYDRO-2-THIOXO-1H-BENZIMIDAZOLE-5-CARBONITRILE
CAS No: 106135-31-3 Catalog No: AG008T8M MDL No:
Product Description
Catalog Number:
AG008T8M
Chemical Name:
1,3-DIHYDRO-2-THIOXO-1H-BENZIMIDAZOLE-5-CARBONITRILE
CAS Number:
106135-31-3
IUPAC Name:
2-sulfanylidene-1,3-dihydrobenzimidazole-5-carbonitrile
InChI:
InChI=1S/C8H5N3S/c9-4-5-1-2-6-7(3-5)11-8(12)10-6/h1-3H,(H2,10,11,12)
InChI Key:
JJKFHPCWCOXSPU-UHFFFAOYSA-N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.209g/mol
Monoisotopic Mass:
175.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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