Basic information
- CAS
623939-71-9- Standard SMILES
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1F- InChIKey
SPZJYGZEFOMHMY-JLPGSUDCSA-N- Molecular formula
- C27H26FN3O2S2
- Average molar mass
- 507.6 g/mol
- Monoisotopic mass
- 507.14504759
Names & identifiers
- Preferred name
- (5Z)-3-Cyclopentyl-5-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-YL]methylene}-2-thioxo-1,3-thiazolidin-4-one
- IUPAC
- (5Z)-3-cyclopentyl-5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
623939-71-9(5Z)-3-CYCLOPENTYL-5-{[3-(3-FLUORO-4-PROPOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-2-THIOXO-1,3-THIAZOLIDIN-4-ONE(5Z)-3-CYCLOPENTYL-5-((3-(3-FLUORO-4-PROPOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHYLENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONERefChem:404602644-590-33-Cyclopentyl-5-((3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-oneSTK813332AKOS002196423(5Z)-3-cyclopentyl-5-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Database identifiers
- CAS
623939-71-9- PubChem CID
- 5826257
- EC Number
- 644-590-3
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 799
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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