Basic information
- CAS
623935-28-4- Standard SMILES
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1- InChIKey
PTWFPNRIQLZNQI-USHMODERSA-N- Molecular formula
- C31H29N3O2S2
- Average molar mass
- 539.7 g/mol
- Monoisotopic mass
- 539.17011952
Names & identifiers
- Preferred name
- (5Z)-5-{[3-(4-Butoxyphenyl)-1-phenyl-1H-pyrazol-4-YL]methylene}-3-(4-methylbenzyl)-2-thioxo-1,3-thiazolidin-4-one
- IUPAC
- (5Z)-5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- SALOR-INT L433497-1EA
- Molecular formula
- C31H29N3O2S2
- Molecular weight
- 539.71
Names & synonyms
623935-28-4(5Z)-5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-3-(4-methylbenzyl)-2-thioxo-1,3-thiazolidin-4-one(5Z)-5-((3-(4-BUTOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHYLENE)-3-(4-METHYLBENZYL)-2-THIOXO-1,3-THIAZOLIDIN-4-ONERefChem:404747647-078-85-((3-(4-Butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-oneSTK813085AKOS002193070(5Z)-5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(4-methylbenzyl)-2-thioxo-1,3-thiazolidin-4-one(Z)-5-((3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-oneSALOR-INT L433497-1EA4-Thiazolidinone, 5-[[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-3-[(4-methylphenyl)methyl]-2-thioxo-
Show more names
(5Z)-5-([3-(4-BUTOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE)-3-(4-METHYLBENZYL)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 829
Physicochemical properties
- Boiling point
- 707.7 · 707.7±70.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- -2.03 · -2.03±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H413
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- H315-H319-H335-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers4 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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