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89028-89-7 | 1H-Benzimidazole, 2-(1H-benzimidazol-5-ylthio)-
CAS No: 89028-89-7 Catalog No: AG00442N MDL No:
Product Description
Catalog Number:
AG00442N
Chemical Name:
1H-Benzimidazole, 2-(1H-benzimidazol-5-ylthio)-
CAS Number:
89028-89-7
Molecular Formula:
C14H10N4S
Molecular Weight:
266.3210
IUPAC Name:
2-(3H-benzimidazol-5-ylsulfanyl)-1H-benzimidazole
InChI:
InChI=1S/C14H10N4S/c1-2-4-12-11(3-1)17-14(18-12)19-9-5-6-10-13(7-9)16-8-15-10/h1-8H,(H,15,16)(H,17,18)
InChI Key:
IFJRRIVYXUKDDV-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)[nH]c(n2)Sc1ccc2c(c1)nc[nH]2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.322g/mol
Monoisotopic Mass:
266.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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