Basic information
- CAS
68406-57-5- Standard SMILES
c1ccc2[nH]c(SNC3CCCCC3)nc2c1- InChIKey
KCHOOFVJADCWQQ-UHFFFAOYSA-N- Molecular formula
- C13H17N3S
- Average molar mass
- 247.36 g/mol
- Monoisotopic mass
- 247.11431873
Names & identifiers
- Preferred name
- 1H-Benzimidazole-2-sulfenamide, N-cyclohexyl-
- IUPAC
- N-(1H-benzimidazol-2-ylsulfanyl)cyclohexanamine
Names & synonyms
1H-Benzimidazole-2-sulfenamide, N-cyclohexyl-68406-57-5S-(1h-benzoimidazol-2-yl)-N-cyclohexyl-thiohydroxylamineSCHEMBL1538585DTXSID30218535ZINC04633682N-[(1H-1,3-Benzimidazol-2-yl)sulfanyl]cyclohexanamine
Database identifiers
- CAS
68406-57-5- PubChem CID
- 50198
- DTXSID
DTXSID30218535- Nikkaji
- J1.593.473E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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