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Home > Imidazoles > 113955-36-5
113955-36-5 | 1H-Benzimidazole, 2-(methylthio)-1-(2-pyridinylmethyl)-
CAS No: 113955-36-5 Catalog No: AG0077W3 MDL No:
Product Description
Catalog Number:
AG0077W3
Chemical Name:
1H-Benzimidazole, 2-(methylthio)-1-(2-pyridinylmethyl)-
CAS Number:
113955-36-5
Molecular Formula:
C14H13N3S
Molecular Weight:
255.3381
IUPAC Name:
2-methylsulfanyl-1-(pyridin-2-ylmethyl)benzimidazole
InChI:
InChI=1S/C14H13N3S/c1-18-14-16-12-7-2-3-8-13(12)17(14)10-11-6-4-5-9-15-11/h2-9H,10H2,1H3
InChI Key:
ZYVJDWBITHKAOH-UHFFFAOYSA-N
SMILES:
CSc1nc2c(n1Cc1ccccn1)cccc2
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.083g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.339g/mol
Monoisotopic Mass:
255.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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