Basic information
- Standard SMILES
Cl.Cl.SCCN1CCN(Cc2ccc(Cl)cc2)CC1- InChIKey
YWWIJWIAFSMOPU-UHFFFAOYSA-N- Molecular formula
- C13H21Cl3N2S
- Average molar mass
- 343.7 g/mol
Names & identifiers
- Preferred name
- 2-[4-(4-Chlorobenzyl)piperazin-1-yl]ethanethiol dihydrochloride
- IUPAC
- 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanethiol;dihydrochloride
Names & synonyms
SCHEMBL10660416YWWIJWIAFSMOPU-UHFFFAOYSA-N2-[4-(4-chlorobenzyl)piperazin-1-yl]ethanethiol dihydrochloride
Database identifiers
- PubChem CID
- 20153173
Properties
Computed structural properties
- Topological polar surface area
- 7.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 211
Related reactions
2 records
Compound notes
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