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Home > Imidazoles > 583-39-1
583-39-1 | 2-Mercaptobenzimidazole
CAS No: 583-39-1 Catalog No: AG0033DD MDL No:MFCD00005593
Product Description
Catalog Number:
AG0033DD
Chemical Name:
2-Mercaptobenzimidazole
CAS Number:
583-39-1
Molecular Formula:
C7H6N2S
Molecular Weight:
150.2009
MDL Number:
MFCD00005593
IUPAC Name:
1,3-dihydrobenzimidazole-2-thione
InChI:
InChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
InChI Key:
YHMYGUUIMTVXNW-UHFFFAOYSA-N
SMILES:
Sc1nc2c([nH]1)cccc2
EC Number:
209-502-6
UNII:
619CVM6HOK
RTECS Number:
DE1050000
UN Number:
2811
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
150.199g/mol
Monoisotopic Mass:
150.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
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