Basic information
- Standard SMILES
O=C1NCCC1S.O=S(=O)(O)C(F)(F)F- InChIKey
ZIJOHXNOVJDCSS-UHFFFAOYSA-N- Molecular formula
- C5H8F3NO4S2
- Average molar mass
- 267.3 g/mol
- Monoisotopic mass
- 266.98468457
Names & identifiers
- Preferred name
- 3-Mercapto-2-pyrrolidinone trifluoromethanesulfonate
- IUPAC
- 3-sulfanylpyrrolidin-2-one;trifluoromethanesulfonic acid
Names & synonyms
3-Mercapto-2-pyrrolidinone trifluoromethanesulfonateSCHEMBL9364373
Database identifiers
- PubChem CID
- 19797263
Properties
Computed structural properties
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Related reactions
1 records
Compound notes
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