Basic information
- CAS
77718-07-1- Standard SMILES
O=C(Sc1ccccc1)N1CCN(C(=O)Sc2ccccc2)CC1- InChIKey
NBXIZICRRJGNMY-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2S2
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.08097017
Names & identifiers
- Preferred name
- S~1~,S~4~-Diphenyl piperazine-1,4-dicarbothioate
- IUPAC
- 1-S,4-S-diphenyl piperazine-1,4-dicarbothioate
Names & synonyms
77718-07-1NSC320623S~1~,S~4~-Diphenyl piperazine-1,4-dicarbothioateDTXSID60317803NSC-320623
Database identifiers
- CAS
77718-07-1- PubChem CID
- 330930
- DTXSID
DTXSID60317803
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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