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105853-79-0 | Benzenesulfonothioic acid, S-(1-methyl-1H-benzimidazol-2-yl) ester
CAS No: 105853-79-0 Catalog No: AG007WLM MDL No:
Product Description
Catalog Number:
AG007WLM
Chemical Name:
Benzenesulfonothioic acid, S-(1-methyl-1H-benzimidazol-2-yl) ester
CAS Number:
105853-79-0
Molecular Formula:
C14H12N2O2S2
Molecular Weight:
304.3873
IUPAC Name:
2-(benzenesulfonylsulfanyl)-1-methylbenzimidazole
InChI:
InChI=1S/C14H12N2O2S2/c1-16-13-10-6-5-9-12(13)15-14(16)19-20(17,18)11-7-3-2-4-8-11/h2-10H,1H3
InChI Key:
OGVHUCXGDIDAFZ-UHFFFAOYSA-N
SMILES:
Cn1c(nc2c1cccc2)SS(=O)(=O)c1ccccc1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.034g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.382g/mol
Monoisotopic Mass:
304.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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