(5Z)-5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-3-isopropyl-2-thioxo-1,3-thiazolidin-4-one
Basic information
- CAS
623935-94-4- Standard SMILES
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1[N+](=O)[O-]- InChIKey
YUAOCVYBKLNCJU-BKUYFWCQSA-N- Molecular formula
- C24H22N4O4S2
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.10824754
Names & identifiers
- Preferred name
- (5Z)-5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-3-isopropyl-2-thioxo-1,3-thiazolidin-4-one
- IUPAC
- (5Z)-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
623935-94-4(5Z)-5-{[3-(4-ETHOXY-3-NITROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-3-ISOPROPYL-2-THIOXO-1,3-THIAZOLIDIN-4-ONE(5Z)-5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-3-isopropyl-2-thioxo-1,3-thiazolidin-4-oneRefChem:404774644-245-75-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-isopropyl-2-thioxothiazolidin-4-oneSTK880798AKOS002196132(5Z)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one
Database identifiers
- CAS
623935-94-4- PubChem CID
- 5901047
- EC Number
- 644-245-7
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 811
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%)
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Compound notes
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