Basic information
- CAS
65102-73-0- Standard SMILES
O=C1NCCC1(Sc1ccccc1)Sc1ccccc1- InChIKey
NSINOBZBDRFJAN-UHFFFAOYSA-N- Molecular formula
- C16H15NOS2
- Average molar mass
- 301.4 g/mol
Names & identifiers
- Preferred name
- 3,3-Bis(phenylsulfanyl)-2-pyrrolidinone
- IUPAC
- 3,3-bis(phenylsulfanyl)pyrrolidin-2-one
- English name
- 3,3-bis(phenylsulfanyl)-2-pyrrolidinone
- Molecular formula
- C16H15NOS2
- Molecular weight
- 301.43
Names & synonyms
3,3-bis(phenylsulfanyl)-2-pyrrolidinone3,3-bis(phenylsulfanyl)pyrrolidin-2-oneAK-564/146070042-Pyrrolidinone, 3,3-bis(phenylthio)-
Database identifiers
- CAS
65102-73-0
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Melting point
- 100.5 · 100.5-102.0 °C
- Boiling point
- 537.8 · 537.8±50.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 14.09 · 14.09±0.40(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…