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77456-61-2 | 1H-Benzimidazole-2-carbodithioic acid, methyl ester
CAS No: 77456-61-2 Catalog No: AG008MUH MDL No:
Product Description
Catalog Number:
AG008MUH
Chemical Name:
1H-Benzimidazole-2-carbodithioic acid, methyl ester
CAS Number:
77456-61-2
Molecular Formula:
C9H8N2S2
Molecular Weight:
208.3032
IUPAC Name:
methyl 1H-benzimidazole-2-carbodithioate
InChI:
InChI=1S/C9H8N2S2/c1-13-9(12)8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,10,11)
InChI Key:
OLIUOBYUCIENSK-UHFFFAOYSA-N
SMILES:
CSC(=S)c1nc2c([nH]1)cccc2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.297g/mol
Monoisotopic Mass:
208.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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