Basic information
- CAS
5422-90-2- Standard SMILES
Clc1ccc(Cl)c(SCCCN2CCNCC2)c1- InChIKey
YCJUISCEMNHDHX-UHFFFAOYSA-N- Molecular formula
- C13H18Cl2N2S
- Average molar mass
- 305.3 g/mol
- Monoisotopic mass
- 304.0567751
Names & identifiers
- Preferred name
- 1-[3-(2,5-Dichlorophenyl)sulfanylpropyl]piperazine
- IUPAC
- 1-[3-(2,5-dichlorophenyl)sulfanylpropyl]piperazine
Names & synonyms
1-[3-(2,5-dichlorophenyl)sulfanylpropyl]piperazine5422-90-2CHEMBL189724NCI-10777NSC10777NSC-10777NCIStruc1_001134NCIStruc2_000953DTXSID303282091-{3-[(2,5-DICHLOROPHENYL)SULFANYL]PROPYL}PIPERAZINENCI10777BDBM50154467
Show more names
CCG-36892NCGC00013117NCGC00013117-02NCGC00096238-01NCI60_0001871-(3-((2,5-dichlorophenyl)thio)propyl)piperazine1-[3-(2,5-Dichloro-phenylsulfanyl)-propyl]-piperazine
Database identifiers
- CAS
5422-90-2- PubChem CID
- 408043
- DTXSID
DTXSID30328209- ChEMBL
CHEMBL189724- Nikkaji
- J2.890.645E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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