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Home > Imidazoles > 89028-88-6
89028-88-6 | 1H-Benzimidazole, 5-(1H-benzimidazol-2-ylthio)-2-methyl-
CAS No: 89028-88-6 Catalog No: AG008876 MDL No:
Product Description
Catalog Number:
AG008876
Chemical Name:
1H-Benzimidazole, 5-(1H-benzimidazol-2-ylthio)-2-methyl-
CAS Number:
89028-88-6
Molecular Formula:
C15H12N4S
Molecular Weight:
280.3476
IUPAC Name:
6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole
InChI:
InChI=1S/C15H12N4S/c1-9-16-13-7-6-10(8-14(13)17-9)20-15-18-11-4-2-3-5-12(11)19-15/h2-8H,1H3,(H,16,17)(H,18,19)
InChI Key:
KXNAJKJYSUQCGU-UHFFFAOYSA-N
SMILES:
Cc1[nH]c2c(n1)cc(cc2)Sc1nc2c([nH]1)cccc2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.349g/mol
Monoisotopic Mass:
280.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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