Basic information
- CAS
24372-76-7- Standard SMILES
C1=C(c2ccccc2)SC(N2CCCCC2)S1- InChIKey
ADBWETCLQOHQHB-UHFFFAOYSA-N- Molecular formula
- C14H17NS2
- Average molar mass
- 263.4 g/mol
- Monoisotopic mass
- 263.08024189
Names & identifiers
- Preferred name
- 1-(4-Phenyl-1,3-dithiol-2-yl)piperidine
- IUPAC
- 1-(4-phenyl-1,3-dithiol-2-yl)piperidine
Names & synonyms
1-(4-Phenyl-1,3-dithiol-2-yl)piperidine24372-76-7NSC292692NSC 292692CHEMBL1995077NSC-292692NCI60_002416
Database identifiers
- CAS
24372-76-7- PubChem CID
- 325089
- ChEMBL
CHEMBL1995077
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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