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Home > Imidazoles > 345991-03-9
345991-03-9 | 6,6'-methylenebis(1H-benzimidazole-2-thiol)
CAS No: 345991-03-9 Catalog No: AG00JHCH MDL No:MFCD02018976
Product Description
Catalog Number:
AG00JHCH
Chemical Name:
6,6'-methylenebis(1H-benzimidazole-2-thiol)
CAS Number:
345991-03-9
Molecular Formula:
C15H12N4S2
Molecular Weight:
312.4126
MDL Number:
MFCD02018976
IUPAC Name:
5-[(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-dihydrobenzimidazole-2-thione
InChI:
InChI=1S/C15H12N4S2/c20-14-16-10-3-1-8(6-12(10)18-14)5-9-2-4-11-13(7-9)19-15(21)17-11/h1-4,6-7H,5H2,(H2,16,18,20)(H2,17,19,21)
InChI Key:
YBAXLQNPEUUKJS-UHFFFAOYSA-N
SMILES:
Sc1nc2c([nH]1)cc(cc2)Cc1ccc2c(c1)[nH]c(n2)S
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.05g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
312.409g/mol
Monoisotopic Mass:
312.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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