3-Oxazolidineethanesulfonic acid, 4-oxo-2-thioxo-
Basic information
- CAS
68561-10-4- Standard SMILES
O=C1COC(=S)N1CCS(=O)(=O)O- InChIKey
PPMCSZRGJHEBAY-UHFFFAOYSA-N- Molecular formula
- C5H7NO5S2
- Average molar mass
- 225.2 g/mol
- Monoisotopic mass
- 224.97656467
Names & identifiers
- Preferred name
- 3-Oxazolidineethanesulfonic acid, 4-oxo-2-thioxo-
- IUPAC
- 2-(4-oxo-2-sulfanylidene-1,3-oxazolidin-3-yl)ethanesulfonic acid
Names & synonyms
68561-10-43-Oxazolidineethanesulfonic acid, 4-oxo-2-thioxo-DTXSID70887466RefChem:504623DTXCID201026760EINECS 271-486-1N-(2-Sulfoethyl)-2-thio-4-ketotetrahydrooxazole4-Oxo-2-thioxo-3-oxazolidineethanesulfonic acidSCHEMBL6032457PPMCSZRGJHEBAY-UHFFFAOYSA-N2-(4-oxo-2-sulfanylidene-1,3-oxazolidin-3-yl)ethane-1-sulfonic acidNS00062787
Show more names
2-(4-oxo-2-thioxo-oxazolidin-3-yl)ethanesulfonic acid
Database identifiers
- CAS
68561-10-4- PubChem CID
- 459098
- DTXSID
DTXSID70887466- EC Number
- 271-486-1
- Nikkaji
- J309.217H
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 329
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Oxazolidineethanesulfonic acid, 4-oxo-2-thioxo-: INACTIVE
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Related reactions
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Compound notes
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