Basic information
- CAS
23236-18-2- Standard SMILES
CCN1C(=CC=C2SC(=S)N(CC(=O)O)C2=O)Oc2ccccc21- InChIKey
QWFJNAHLMKUKHA-UHFFFAOYSA-N- Molecular formula
- C16H14N2O4S2
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.03949928
Names & identifiers
- Preferred name
- 3-Thiazolidineacetic acid, 5-(2-(3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-4-oxo-2-thioxo-
- IUPAC
- 2-[5-[2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Names & synonyms
23236-18-2EINECS 245-510-6NSC 1049613-Thiazolidineacetic acid, 5-[(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid, 5-((3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-4-oxo-2-thioxo-3-Thiazolidineacetic acid, 5-(2-(3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-4-oxo-2-thioxo-DTXSID10668653-thiazolidineacetic acid, 5-[2-(3-ethyl-2(3h)-benzoxazolylidene)ethylidene]-4-oxo-2-thioxo-RefChem:282708DTXCID1036830SCHEMBL10625948QWFJNAHLMKUKHA-UHFFFAOYSA-N
Show more names
3-Thiazolidineaceticacid, 5-[2-(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-4-oxo-2-thioxo-2-[5-[2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acidDS-014419NS000273835-(3'-ethyl-2'-benzoxazolylidene-ethylidene)-3-carboxymethyl rhodanine5-((3-Ethylbenzoxazol-2(3H)-ylidene)ethylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid
Database identifiers
- CAS
23236-18-2
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 632
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Thiazolidineacetic acid, 5-[2-(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-4-oxo-2-thioxo-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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