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15728-44-6 | 1H-BENZIMIDAZOLE, 1-[(4-METHYLPHENYL)SULFONYL]-
CAS No: 15728-44-6 Catalog No: AG001PCC MDL No:
Product Description
Catalog Number:
AG001PCC
Chemical Name:
1H-BENZIMIDAZOLE, 1-[(4-METHYLPHENYL)SULFONYL]-
CAS Number:
15728-44-6
Molecular Formula:
C14H12N2O2S
Molecular Weight:
272.3223
IUPAC Name:
1-(4-methylphenyl)sulfonylbenzimidazole
InChI:
InChI=1S/C14H12N2O2S/c1-11-6-8-12(9-7-11)19(17,18)16-10-15-13-4-2-3-5-14(13)16/h2-10H,1H3
InChI Key:
RVEFLPWSRYGYOL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cnc2c1cccc2
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.322g/mol
Monoisotopic Mass:
272.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Identification of Inhibitors of NOD1-Induced Nuclear Factor-κB Activation. | ACS medicinal chemistry letters 20111013 |
| 1-Tosyl-2-[(1-tosyl-1H-benzimidazol-2-yl)methyl-sulfanyl]-1H-benzimidazole. | Acta crystallographica. Section E, Structure reports online 20110501 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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