2,5-Pyrrolidinedione, 1-(cyclohexylthio)-
Basic information
- CAS
17796-91-7- Standard SMILES
O=C1CCC(=O)N1SC1CCCCC1- InChIKey
VTUZUBREJXDULA-UHFFFAOYSA-N- Molecular formula
- C10H15NO2S
- Average molar mass
- 213.3 g/mol
- Monoisotopic mass
- 213.08234989
Names & identifiers
- Preferred name
- 2,5-Pyrrolidinedione, 1-(cyclohexylthio)-
- IUPAC
- 1-cyclohexylsulfanylpyrrolidine-2,5-dione
Names & synonyms
2,5-Pyrrolidinedione, 1-(cyclohexylthio)-17796-91-7DTXSID9073414RefChem:247797DTXCID50356601-(cyclohexylsulfanyl)pyrrolidine-2,5-dioneSCHEMBL10928940
Database identifiers
- CAS
17796-91-7- PubChem CID
- 87311
- DTXSID
DTXSID9073414- Nikkaji
- J1.557.274D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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