Basic information
- CAS
64014-03-5- Standard SMILES
COC(=O)C1CSC(=S)N1- InChIKey
FXMIVTSGXNTPTC-UHFFFAOYSA-N- Molecular formula
- C5H7NO2S2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 176.99182081
Names & identifiers
- Preferred name
- 4-Thiazolidinecarboxylic acid, 2-thioxo-, methyl ester
- IUPAC
- methyl 2-sulfanylidene-1,3-thiazolidine-4-carboxylate
Names & synonyms
64014-03-54-Thiazolidinecarboxylic acid, 2-thioxo-, methyl esterDTXSID10418738RefChem:296559DTXCID20369585methyl 2-sulfanylidene-1,3-thiazolidine-4-carboxylateSCHEMBL4262531SCHEMBL9555973FXMIVTSGXNTPTC-UHFFFAOYSA-NThiazole, 2-thio-4-methoxycarbonyl-Methyl 2-thioxo-1,3-thiazolidine-4-carboxylate #
Database identifiers
- CAS
64014-03-5- PubChem CID
- 5374538
- DTXSID
DTXSID10418738
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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