Basic information
- CAS
63123-26-2- Standard SMILES
CCN1C(=O)C(=C(C)C=C2Oc3ccccc3N2CC)SC1=S- InChIKey
WSSGAKXTPGFJFO-UHFFFAOYSA-N- Molecular formula
- C17H18N2O2S2
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.08097017
Names & identifiers
- Preferred name
- 4-Thiazolidinone, 3-ethyl-5-[2-(3-ethyl-2(3H)-benzoxazolylidene)-1-methylethylidene]-2-thioxo-
- IUPAC
- 3-ethyl-5-[1-(3-ethyl-1,3-benzoxazol-2-ylidene)propan-2-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
4-Thiazolidinone, 3-ethyl-5-(2-(3-ethyl-2(3H)-benzoxazolylidene)-1-methylethylidene)-2-thioxo-4-Thiazolidinone, 3-ethyl-5-[2-(3-ethyl-2(3H)-benzoxazolylidene)-1-methylethylidene]-2-thioxo-DTXSID9069681RefChem:527005DTXCID304365963123-26-23-ethyl-5-[2-(3-ethyl-(3H)-benzoxazol-2-ylidene)-1-methylethylidene]-2-thioxothiazolidin-4-oneEINECS 263-873-93-Ethyl-5-(2-(3-ethyl-(3H)-benzoxazol-2-ylidene)-1-methylethylidene)-2-thioxothiazolidin-4-oneSCHEMBL11424561WSSGAKXTPGFJFO-UHFFFAOYSA-NDB-315410
Database identifiers
- CAS
63123-26-2- PubChem CID
- 112561
- DTXSID
DTXSID9069681- EC Number
- 263-873-9
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 585
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Thiazolidinone, 3-ethyl-5-[2-(3-ethyl-2(3H)-benzoxazolylidene)-1-methylethylidene]-2-thioxo-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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