2-((5-(3-Ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-4,5-dihydro-4-methyl-1,3,4-thiadiazol-2-yl)thio)acetic acid
Basic information
- CAS
24075-61-4- Standard SMILES
CCN1C(=O)C(=C2SC(SCC(=O)O)=NN2C)SC1=S- InChIKey
DZTXQVVJWODIAX-UHFFFAOYSA-N- Molecular formula
- C10H11N3O3S4
- Average molar mass
- 349.5 g/mol
- Monoisotopic mass
- 348.96832592
Names & identifiers
- Preferred name
- 2-((5-(3-Ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-4,5-dihydro-4-methyl-1,3,4-thiadiazol-2-yl)thio)acetic acid
- IUPAC
- 2-[[5-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-methyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
Names & synonyms
24075-61-42-[[5-(3-Ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-4,5-dihydro-4-methyl-1,3,4-thiadiazol-2-yl]thio]acetic acid2-((5-(3-Ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-4,5-dihydro-4-methyl-1,3,4-thiadiazol-2-yl)thio)acetic acidRefChem:249445DTXSID501108248NS00051392
Database identifiers
- CAS
24075-61-4- PubChem CID
- 91119
- DTXSID
DTXSID501108248- EC Number
- 246-009-5
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 546
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
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Compound notes
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