3-Benzyl-5-((4-chloroanilino)methylene)-1,3-thiazolidine-2,4-dione
Basic information
- CAS
308095-95-6- Standard SMILES
O=c1sc(C=Nc2ccc(Cl)cc2)c(O)n1Cc1ccccc1- InChIKey
GOPWWZSHVQEFSD-UHFFFAOYSA-N- Molecular formula
- C17H13ClN2O2S
- Average molar mass
- 344.8 g/mol
- Monoisotopic mass
- 344.0386265
Names & identifiers
- Preferred name
- 3-Benzyl-5-((4-chloroanilino)methylene)-1,3-thiazolidine-2,4-dione
- IUPAC
- 3-benzyl-5-[(4-chlorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one
Names & synonyms
3-BENZYL-5-((4-CHLOROANILINO)METHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE3-benzyl-5-[(4-chloroanilino)methylene]-1,3-thiazolidine-2,4-dioneRefChem:498008308095-95-6683-875-7AKOS002307751AKOS024344495ST50564583AT-057/405433813-benzyl-5-[(4-chlorophenyl)iminomethyl]-4-hydroxy-1,3-thiazol-2-one5-{[(4-chlorophenyl)amino]methylene}-3-benzyl-1,3-thiazolidine-2,4-dione(5Z)-3-benzyl-5-[(4-chloroanilino)methylidene]-1,3-thiazolidine-2,4-dione
Database identifiers
- CAS
308095-95-6- PubChem CID
- 3302841
- EC Number
- 683-875-7
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 495
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 Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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