3-(2,4-Dithioxo-1,3-thiazolidin-3-yl)propanoic acid
Basic information
- CAS
60708-94-3- Standard SMILES
O=C(O)CCN1C(=S)CSC1=S- InChIKey
ROONOSCQTGQBKL-UHFFFAOYSA-N- Molecular formula
- C6H7NO2S3
- Average molar mass
- 221.3 g/mol
- Monoisotopic mass
- 220.96389199
Names & identifiers
- Preferred name
- 3-(2,4-Dithioxo-1,3-thiazolidin-3-yl)propanoic acid
- IUPAC
- 3-[2,4-bis(sulfanylidene)-1,3-thiazolidin-3-yl]propanoic acid
Names & synonyms
NSC30993960708-94-3NSC-309939NCIStruc1_000719NCIStruc2_0007073-(2,4-dithioxo-1,3-thiazolidin-3-yl)propanoic acidCHEMBL1407471SCHEMBL15410373DTXSID803169943-[2,4-bis(sulfanylidene)-1,3-thiazolidin-3-yl]propanoic acidCCG-37844NCGC00014701
Show more names
NCI309939NCGC00014701-02NCGC00097804-01NCI60_002664DS-0045053-(2,4-Disulfanylidenethiazolidin-3-yl)propanoic acid
Database identifiers
- CAS
60708-94-3- PubChem CID
- 328964
- DTXSID
DTXSID80316994- ChEMBL
CHEMBL1407471
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 241
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Related reactions
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Compound notes
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