Basic information
- CAS
21155-21-5- Standard SMILES
CCN1CCSC1=CC=C1SC(=S)N(CC(=O)O)C1=O- InChIKey
QGVPJCPOTBNOCZ-UHFFFAOYSA-N- Molecular formula
- C12H14N2O3S3
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.01665583
Names & identifiers
- Preferred name
- 3-Thiazolidineacetic acid, 5-[2-(3-ethyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo-
- IUPAC
- 2-[5-[2-(3-ethyl-1,3-thiazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Names & synonyms
3-Thiazolidineacetic acid, 5-[(3-ethyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo-EINECS 244-247-43-Carboxymethyl-5-((3-ethyl-2-thiazolidinylidene)ethylidene)rhodanine5-((3-Ethylthiazolidin-2-ylidene)ethylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid3-Carboxymethyl-5-(2-(3-ethyl-2-thiazolinylidene)ethylidine)rhodanine3-Thiazolidineacetic acid, 5-((3-ethyl-2-thiazolidinylidene)ethylidene)-4-oxo-2-thioxo-3-Thiazolidineacetic acid, 5-(2-(3-ethyl-2-thiazolidinylidene)ethylidene)-4-oxo-2-thioxo-3-Thiazolidineacetic acid, 5-[2-(3-ethyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo-5-((3-Ethyl-2-thiazolidinylidene)ethylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid5-[2-(3-Ethyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acidDTXSID80666845-(2-(3-Ethyl-2-thiazolidinylidene)ethylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid
Show more names
5-[(3-Ethyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid5-[(3-ethylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acidRefChem:505431DTXCID4036435244-247-421155-21-5PLG2USN2AD2-[5-[2-(3-ethyl-1,3-thiazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 516
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationChemical: 3-Thiazolidineacetic acid, 5-[(3-ethyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Thiazolidineacetic acid, 5-[2-(3-ethyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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