Basic information
- CAS
88095-65-2- Standard SMILES
O=C(O)C1SCCN1C(=O)C(Cl)Cl- InChIKey
BMSRJUYNBUHFBL-UHFFFAOYSA-N- Molecular formula
- C6H7Cl2NO3S
- Average molar mass
- 244.09 g/mol
- Monoisotopic mass
- 242.9523696
Names & identifiers
- Preferred name
- 3-(Dichloroacetyl)-1,3-thiazolidine-2-carboxylic acid
- IUPAC
- 3-(2,2-dichloroacetyl)-1,3-thiazolidine-2-carboxylic acid
Names & synonyms
88095-65-2SCHEMBL98157803-(Dichloroacetyl)-1,3-thiazolidine-2-carboxylic acidDTXSID50603186
Database identifiers
- CAS
88095-65-2- PubChem CID
- 20163365
- DTXSID
DTXSID50603186
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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