(5Z)-3-(2-Chlorobenzyl)-5-((3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-2-thioxo-1,3-thiazolidin-4-one
Basic information
- CAS
623936-15-2- Standard SMILES
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)cc1F- InChIKey
MMQOFGBWRSRTLY-OYKKKHCWSA-N- Molecular formula
- C27H19ClFN3OS2
- Average molar mass
- 520 g/mol
- Monoisotopic mass
- 519.0642104
Names & identifiers
- Preferred name
- (5Z)-3-(2-Chlorobenzyl)-5-((3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-2-thioxo-1,3-thiazolidin-4-one
- IUPAC
- (5Z)-3-[(2-chlorophenyl)methyl]-5-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- SALOR-INT L438855-1EA
- Molecular formula
- C27H19ClFN3OS2
- Molecular weight
- 520.04
Names & synonyms
623936-15-2(5Z)-3-(2-CHLOROBENZYL)-5-{[3-(3-FLUORO-4-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-2-THIOXO-1,3-THIAZOLIDIN-4-ONE(5Z)-3-(2-Chlorobenzyl)-5-((3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-2-thioxo-1,3-thiazolidin-4-oneRefChem:404552644-326-73-(2-Chlorobenzyl)-5-((3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-oneSTK880846AKOS002196487(5Z)-3-(2-chlorobenzyl)-5-{[3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-oneSALOR-INT L438855-1EA(5Z)-3-(2-CHLOROBENZYL)-5-([3-(3-FLUORO-4-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
Database identifiers
- CAS
623936-15-2- PubChem CID
- 5823116
- EC Number
- 644-326-7
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 822
Physicochemical properties
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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