CAS 33007-61-3 | 1H-Benzimidazole,2,2'-[thiobis(methylene)]bis- | CAS Number 33007-61-3

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33007-61-3 | 1H-Benzimidazole,2,2'-[thiobis(methylene)]bis-

CAS No: 33007-61-3 Catalog No: AG007I0F MDL No:

Product Description

Catalog Number:

AG007I0F

Chemical Name:

1H-Benzimidazole,2,2'-[thiobis(methylene)]bis-

CAS Number:

33007-61-3

Molecular Formula:

C16H14N4S

Molecular Weight:

294.3742

IUPAC Name:

2-(1H-benzimidazol-2-ylmethylsulfanylmethyl)-1H-benzimidazole

InChI:

InChI=1S/C16H14N4S/c1-2-6-12-11(5-1)17-15(18-12)9-21-10-16-19-13-7-3-4-8-14(13)20-16/h1-8H,9-10H2,(H,17,18)(H,19,20)

InChI Key:

PLROPLMRAPJFHZ-UHFFFAOYSA-N

SMILES:

S(Cc1nc2c([nH]1)cccc2)Cc1nc2c([nH]1)cccc2

EC Number:

251-335-6

Properties

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

294.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

294.376g/mol

Monoisotopic Mass:

294.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Structural characterization and antimicrobial activity of 1,3-bis(2-benzimidazyl)-2-thiapropane ligand and its Pd(II) and Zn(II) halide complexes.	European journal of medicinal chemistry 20051101
Synthesis and investigation of antimicrobial activity of some bisbenzimidazole-derived chelating agents.	European journal of medicinal chemistry 20031001