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51290-77-8 | 2-(benzylthio)-1H-benzimidazole
CAS No: 51290-77-8 Catalog No: AG00JGOS MDL No:MFCD00159958
Product Description
Catalog Number:
AG00JGOS
Chemical Name:
2-(benzylthio)-1H-benzimidazole
CAS Number:
51290-77-8
Molecular Formula:
C14H12N2S
Molecular Weight:
240.3235
MDL Number:
MFCD00159958
IUPAC Name:
2-benzylsulfanyl-1H-benzimidazole
InChI:
InChI=1S/C14H12N2S/c1-2-6-11(7-3-1)10-17-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)
InChI Key:
IJINDUSMSVDESS-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CSc1nc2c([nH]1)cccc2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.324g/mol
Monoisotopic Mass:
240.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| 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 |
| Synthesis and preliminary evaluation of benzimidazole derivatives as antimicrobial agents. | European journal of medicinal chemistry 20020501 |
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