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89028-91-1 | 1H-Benzimidazole, 2-(1H-benzimidazol-5-ylthio)-5-chloro-
CAS No: 89028-91-1 Catalog No: AG004358 MDL No:
Product Description
Catalog Number:
AG004358
Chemical Name:
1H-Benzimidazole, 2-(1H-benzimidazol-5-ylthio)-5-chloro-
CAS Number:
89028-91-1
Molecular Formula:
C14H9ClN4S
Molecular Weight:
300.7661
IUPAC Name:
2-(3H-benzimidazol-5-ylsulfanyl)-6-chloro-1H-benzimidazole
InChI:
InChI=1S/C14H9ClN4S/c15-8-1-3-11-13(5-8)19-14(18-11)20-9-2-4-10-12(6-9)17-7-16-10/h1-7H,(H,16,17)(H,18,19)
InChI Key:
LQFCJTXCGFRCNW-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc([nH]2)Sc1ccc2c(c1)nc[nH]2
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.024g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.764g/mol
Monoisotopic Mass:
300.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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