Basic information
- CAS
623936-22-1- Standard SMILES
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)CC)C2=O)cc1F- InChIKey
IMUGZFHXBDLTMU-HAHDFKILSA-N- Molecular formula
- C26H26FN3O2S2
- Average molar mass
- 495.6 g/mol
- Monoisotopic mass
- 495.14504759
Names & identifiers
- Preferred name
- (5Z)-3-Sec-butyl-5-((3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-2-thioxo-1,3-thiazolidin-4-one
- IUPAC
- (5Z)-3-butan-2-yl-5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- SALOR-INT L438944-1EA
- Molecular formula
- C26H26FN3O2S2
- Molecular weight
- 495.64
Names & synonyms
623936-22-1(5Z)-3-sec-butyl-5-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one(5Z)-3-Sec-butyl-5-((3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-2-thioxo-1,3-thiazolidin-4-oneRefChem:404620646-278-23-(sec-Butyl)-5-((3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-oneSTK880854AKOS002196296AKOS016067446(5Z)-3-(butan-2-yl)-5-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-oneSALOR-INT L438944-1EA4-Thiazolidinone, 5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-(1-methylpropyl)-2-thioxo-
Show more names
(5Z)-3-SEC-BUTYL-5-([3-(3-FLUORO-4-PROPOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 760
Physicochemical properties
- Boiling point
- 635.4 · 635.4±65.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- -2.67 · -2.67±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H413
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, P273, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335-H413
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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