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387362-51-8 | Carbonothioic acid,S-1H-benzimidazol-2-yl ester (9CI)
CAS No: 387362-51-8 Catalog No: AG00786K MDL No:
Product Description
Catalog Number:
AG00786K
Chemical Name:
Carbonothioic acid,S-1H-benzimidazol-2-yl ester (9CI)
CAS Number:
387362-51-8
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
IUPAC Name:
1H-benzimidazol-2-ylsulfanylformic acid
InChI:
InChI=1S/C8H6N2O2S/c11-8(12)13-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12)
InChI Key:
OUNVUIGRPIYHMY-UHFFFAOYSA-N
SMILES:
OC(=O)Sc1nc2c([nH]1)cccc2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.208g/mol
Monoisotopic Mass:
194.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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