Basic information
- CAS
159298-83-6- Standard SMILES
CN1CCN(C(=S)Cc2ccc(Cl)cc2)CC1- InChIKey
XOWUCQOFMKHAOW-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2S
- Average molar mass
- 268.81 g/mol
- Monoisotopic mass
- 268.0800974
Names & identifiers
- Preferred name
- 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine
- IUPAC
- 2-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)ethanethione
- English name
- 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine
- Molecular formula
- C13H17ClN2S
- Molecular weight
- 268.81
Names & synonyms
1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine159298-83-6XOWUCQOFMKHAOW-UHFFFAOYSA-N2-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)ethanethioneDTXSID203386952-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)ethane-1-thione1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine #Piperazine, 1-[2-(4-chlorophenyl)-1-thioxoethyl]-4-methyl-Ethanethione, 2-(4-chlorophenyl)-1-(4-methyl-1-piperazinyl)-
Database identifiers
- CAS
159298-83-6- PubChem CID
- 550720
- DTXSID
DTXSID20338695- Nikkaji
- J597.852A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 38.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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