Basic information
- CAS
184759-58-8- Standard SMILES
O=C1C[C@H](S)CN1- InChIKey
RADPGJBZLCMARV-VKHMYHEASA-N- Molecular formula
- C4H7NOS
- Average molar mass
- 117.17 g/mol
- Monoisotopic mass
- 117.02483502
Names & identifiers
- Preferred name
- (S)-4-Mercapto-2-pyrrolidinone
- IUPAC
- (4S)-4-sulfanylpyrrolidin-2-one
- English name
- (S)-4-Mercapto-2-pyrrolidinone
- Molecular formula
- C4H7NOS
- Molecular weight
- 117.17
Names & synonyms
184759-58-8(S)-4-MERCAPTO-2-PYRROLIDINONE(4S)-4-sulfanylpyrrolidin-2-one(S)-4-mercaptopyrrolidin-2-oneUS8OK8YDO94-Mercapto-2-pyrrolidinone, (4S)-2-Pyrrolidinone, 4-mercapto-, (S)-UNII-US8OK8YDO9SCHEMBL4927778DTXSID70440611MFCD02262100AKOS017344729
Show more names
2-PYRROLIDINONE, 4-MERCAPTO-, (S)2-Pyrrolidinone,4-mercapto-,(S)-(9CI)
Database identifiers
- CAS
184759-58-8- PubChem CID
- 10486830
- DTXSID
DTXSID70440611- UNII
- US8OK8YDO9
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 30.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 93.7
Physicochemical properties
- Boiling point
- 324.9 · 324.9±35.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 9.39 · 9.39±0.20(Predicted)
- FDA UNII
- 8 OK8YDO9 · US8OK8YDO9
Chemistry & industry
Suppliers2 total
北京珐默兹医药科技有限公司15811073878 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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