Basic information
- CAS
5472-80-0- Standard SMILES
Clc1ccc(N2CCN(CSc3ccccc3)CC2)cc1- InChIKey
AAFHAVRXFCDWJN-UHFFFAOYSA-N- Molecular formula
- C17H19ClN2S
- Average molar mass
- 318.9 g/mol
- Monoisotopic mass
- 318.0957475
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-4-(phenylsulfanylmethyl)piperazine
- IUPAC
- 1-(4-chlorophenyl)-4-(phenylsulfanylmethyl)piperazine
Names & synonyms
5472-80-01-(4-chlorophenyl)-4-(phenylsulfanylmethyl)piperazine1-(4-chlorophenyl)-4-[(phenylsulfanyl)methyl]piperazineNSC29529DTXSID70970044NSC-29529
Database identifiers
- CAS
5472-80-0- PubChem CID
- 232255
- DTXSID
DTXSID70970044
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…