[2-(4-Methoxyphenyl)-2-oxoethyl] piperidine-1-carbodithioate
Basic information
- CAS
24372-66-5- Standard SMILES
COc1ccc(C(=O)CSC(=S)N2CCCCC2)cc1- InChIKey
OOJULBTWIPGXSL-UHFFFAOYSA-N- Molecular formula
- C15H19NO2S2
- Average molar mass
- 309.5 g/mol
- Monoisotopic mass
- 309.0857212
Names & identifiers
- Preferred name
- [2-(4-Methoxyphenyl)-2-oxoethyl] piperidine-1-carbodithioate
- IUPAC
- [2-(4-methoxyphenyl)-2-oxoethyl] piperidine-1-carbodithioate
Names & synonyms
MLS00317071224372-66-5NSC327938CHEMBL1898033DTXSID70318245NSC-327938SMR0018746312-(4-Methoxyphenyl)-2-oxoethyl piperidine-1-carbodithioate
Database identifiers
- CAS
24372-66-5- PubChem CID
- 332076
- DTXSID
DTXSID70318245- ChEMBL
CHEMBL1898033
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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