2-cyclohexylsulfanyl-1H-benzimidazole
Basic information
- CAS
146350-97-2- Standard SMILES
c1ccc2[nH]c(SC3CCCCC3)nc2c1- InChIKey
DEXAFDUYOKBUMR-UHFFFAOYSA-N- Molecular formula
- C13H16N2S
- Average molar mass
- 232.35 g/mol
- Monoisotopic mass
- 232.10341969
Names & identifiers
- Preferred name
- 2-cyclohexylsulfanyl-1H-benzimidazole
- IUPAC
- 2-cyclohexylsulfanyl-1H-benzimidazole
Names & synonyms
2-(Cyclohexylthio)-1H-benzimidazole146350-97-22-cyclohexylsulfanyl-1H-benzimidazoleDTXSID701295136AKOS0051378602-(Cyclohexylsulfanyl)-1H-benzimidazoleZ826561556
Database identifiers
- CAS
146350-97-2- PubChem CID
- 792999
- DTXSID
DTXSID701295136
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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