Basic information
- CAS
58536-61-1- Standard SMILES
CCSCCSc1nc2ccccc2n1CCSCC- InChIKey
VMAYZXRBNXISFT-UHFFFAOYSA-N- Molecular formula
- C15H22N2S3
- Average molar mass
- 326.6 g/mol
- Monoisotopic mass
- 326.09451223
Names & identifiers
- Preferred name
- Benzimidazole, 1-(2-(ethylthio)-1-ethyl)-2-(2-(ethylthio)ethylthio)-
- IUPAC
- 1-(2-ethylsulfanylethyl)-2-(2-ethylsulfanylethylsulfanyl)benzimidazole
Names & synonyms
BRN 0807095BENZIMIDAZOLE, 1-(2-(ETHYLTHIO)-1-ETHYL)-2-(2-(ETHYLTHIO)ETHYLTHIO)-N,S-(beta-Diethylthio)diethyl-2-mercaptobenzimidazole58536-61-1DTXSID602072551-(2-(Ethylthio)-1-ethyl)-2-(2-(ethylthio)ethylthio)benzimidazole5-23-11-00296 (Beilstein Handbook Reference)RefChem:325814DTXCID601297461-[2-(Ethylsulfanyl)ethyl]-2-{[2-(ethylsulfanyl)ethyl]sulfanyl}-1H-1,3-benzimidazole
Database identifiers
- CAS
58536-61-1- PubChem CID
- 42771
- DTXSID
DTXSID60207255- Nikkaji
- J69.215H
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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