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77456-62-3 | 1H-Benzimidazole-2-carbodithioicacid
CAS No: 77456-62-3 Catalog No: AG008MUG MDL No:
Product Description
Catalog Number:
AG008MUG
Chemical Name:
1H-Benzimidazole-2-carbodithioicacid
CAS Number:
77456-62-3
Molecular Formula:
C8H6N2S2
Molecular Weight:
194.2766
IUPAC Name:
1H-benzimidazole-2-carbodithioic acid
InChI:
InChI=1S/C8H6N2S2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12)
InChI Key:
GKTZAVGIVRLMFJ-UHFFFAOYSA-N
SMILES:
SC(=S)c1nc2c([nH]1)cccc2
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.997g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.27g/mol
Monoisotopic Mass:
193.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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