Basic information
- CAS
6961-67-7- Standard SMILES
CCSC(=O)N1CCN(C(=O)SCC)CC1- InChIKey
NWIOTCMUKBWAAX-UHFFFAOYSA-N- Molecular formula
- C10H18N2O2S2
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.08097017
Names & identifiers
- Preferred name
- S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate
- IUPAC
- 1-S,4-S-diethyl piperazine-1,4-dicarbothioate
Names & synonyms
6961-67-7NSC62742NCIOpen2_002844S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioateDTXSID00989705NSC-62742
Database identifiers
- CAS
6961-67-7- PubChem CID
- 247686
- DTXSID
DTXSID00989705
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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