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36927-16-9 | 2,2'-(sulfonyldimethanediyl)bis(1h-benzimidazole)
CAS No: 36927-16-9 Catalog No: AG0077MO MDL No:
Product Description
Catalog Number:
AG0077MO
Chemical Name:
2,2'-(sulfonyldimethanediyl)bis(1h-benzimidazole)
CAS Number:
36927-16-9
Molecular Formula:
C16H14N4O2S
Molecular Weight:
326.3730
IUPAC Name:
2-(1H-benzimidazol-2-ylmethylsulfonylmethyl)-1H-benzimidazole
InChI:
InChI=1S/C16H14N4O2S/c21-23(22,9-15-17-11-5-1-2-6-12(11)18-15)10-16-19-13-7-3-4-8-14(13)20-16/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChI Key:
ILZNTBSZUAGNJN-UHFFFAOYSA-N
SMILES:
O=S(=O)(Cc1nc2c([nH]1)cccc2)Cc1nc2c([nH]1)cccc2
NSC Number:
106206
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.084g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.374g/mol
Monoisotopic Mass:
326.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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