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Home > Imidazoles > 81840-54-2
81840-54-2 | 2-Propanone, 1-(1H-benzimidazol-2-ylthio)-3-diazo-
CAS No: 81840-54-2 Catalog No: AG0050C6 MDL No:
Product Description
Catalog Number:
AG0050C6
Chemical Name:
2-Propanone, 1-(1H-benzimidazol-2-ylthio)-3-diazo-
CAS Number:
81840-54-2
Molecular Formula:
C10H8N4OS
Molecular Weight:
232.2617
IUPAC Name:
1-(1H-benzimidazol-2-ylsulfanyl)-3-diazopropan-2-one
InChI:
InChI=1S/C10H8N4OS/c11-12-5-7(15)6-16-10-13-8-3-1-2-4-9(8)14-10/h1-5H,6H2,(H,13,14)
InChI Key:
QGZXPSAHXDOBPP-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=CC(=O)CSc1nc2c([nH]1)cccc2
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.261g/mol
Monoisotopic Mass:
232.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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