6,6'-methylenebis(1H-benzimidazole-2-thiol)
Basic information
- CAS
345991-03-9- Standard SMILES
S=c1[nH]c2ccc(Cc3ccc4[nH]c(=S)[nH]c4c3)cc2[nH]1- InChIKey
YBAXLQNPEUUKJS-UHFFFAOYSA-N- Molecular formula
- C15H12N4S2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.05033875
Names & identifiers
- Preferred name
- 6,6'-methylenebis(1H-benzimidazole-2-thiol)
- IUPAC
- 5-[(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-dihydrobenzimidazole-2-thione
Names & synonyms
345991-03-96,6'-methylenebis(1H-benzimidazole-2-thiol)6,6'-Methylenebis(1H-benzo[d]imidazole-2-thiol)5-[(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-dihydrobenzimidazole-2-thione1H-benzimidazole-2-thiol, 6,6'-methylenebis-5-[(2-sulfanylbenzimidazol-5-yl)methyl]benzimidazole-2-thiolOprea1_624609MLS001163527CHEMBL1525958DTXSID801333686HMS2817K19ALBB-025212
Show more names
MFCD02018976SBB010034AKOS003241679AKOS003273712AKOS024283108SMR000497330ST060433CS-0360928
Database identifiers
- CAS
345991-03-9- PubChem CID
- 802901
- DTXSID
DTXSID801333686- ChEMBL
CHEMBL1525958
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 415
Experimental & physicochemical properties
Solubility1.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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