2-Methylisothiazolidine-3-carboxylic acid 1,1-dioxide
Basic information
- CAS
1822520-26-2- Standard SMILES
CN1C(C(=O)O)CCS1(=O)=O- InChIKey
JHFCWIOKPTUYTK-UHFFFAOYSA-N- Molecular formula
- C5H9NO4S
- Average molar mass
- 179.2 g/mol
- Monoisotopic mass
- 179.02522894
Names & identifiers
- Preferred name
- 2-Methylisothiazolidine-3-carboxylic acid 1,1-dioxide
- IUPAC
- 2-methyl-1,1-dioxo-1,2-thiazolidine-3-carboxylic acid
Names & synonyms
1822520-26-22-Methylisothiazolidine-3-carboxylic acid 1,1-dioxide2-methyl-1,1-dioxo-1lambda6,2-thiazolidine-3-carboxylic acidSCHEMBL244738192-methyl-1,1-dioxo-1lambda6,2-thiazolidine-3-carboxylicacidAT55224EN300-1296513Z1504680896
Database identifiers
- CAS
1822520-26-2- PubChem CID
- 129982012
- EC Number
- 188-510-0
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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