Basic information
- CAS
104473-04-3- Standard SMILES
O=C(O)CN1CCC(SC(=O)c2cccs2)C1=O- InChIKey
LCXLPRGAMVGZQA-UHFFFAOYSA-N- Molecular formula
- C11H11NO4S2
- Average molar mass
- 285.3 g/mol
- Monoisotopic mass
- 285.01295018
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-(2-Thienoylthio)-2-oxo-1-pyrrolidinyl acetic acid
- IUPAC
- 2-[2-oxo-3-(thiophene-2-carbonylsulfanyl)pyrrolidin-1-yl]acetic acid
- English name
- 3-(2-thienoylthio)-2-oxo-1-pyrrolidinyl acetic acid
- Molecular formula
- C11H11NO4S2
- Molecular weight
- 285.34
Names & synonyms
104473-04-33-Ttopaa3-(2-Thienoylthio)-2-oxo-1-pyrrolidinyl acetic acidRefChem:922392-Oxo-3-((2-thienylcarbonyl)thio)-1-pyrrolidineacetic acid2-[2-oxo-3-(thiophene-2-carbonylsulfanyl)pyrrolidin-1-yl]acetic acidSCHEMBL10369668DTXSID20908993{2-Oxo-3-[(2-thienylcarbonyl)sulfanyl]-1-pyrrolidinyl}acetic acid1-Pyrrolidineacetic acid, 2-oxo-3-((2-thienylcarbonyl)thio)-{2-Oxo-3-[(thiophene-2-carbonyl)sulfanyl]pyrrolidin-1-yl}acetic acid
Database identifiers
- CAS
104473-04-3- PubChem CID
- 128587
- DTXSID
DTXSID20908993
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Boiling point
- 542.121 · 542.121±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.533 · 1.533±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.753 · 3.753±0.10(predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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