(5Z)-5-((3-(4-Isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-3-pentyl-2-thioxo-1,3-thiazolidin-4-one
Basic information
- CAS
623934-85-0- Standard SMILES
CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)SC1=S- InChIKey
VSBONMLWOMQCPI-ONUIUJJFSA-N- Molecular formula
- C29H33N3O2S2
- Average molar mass
- 519.7 g/mol
- Monoisotopic mass
- 519.20141965
Names & identifiers
- Preferred name
- (5Z)-5-((3-(4-Isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-3-pentyl-2-thioxo-1,3-thiazolidin-4-one
- IUPAC
- (5Z)-5-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- SALOR-INT L431184-1EA
- Molecular formula
- C29H33N3O2S2
- Molecular weight
- 519.72
Names & synonyms
623934-85-0(5Z)-5-{[3-(4-ISOBUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-3-PENTYL-2-THIOXO-1,3-THIAZOLIDIN-4-ONE(5Z)-5-((3-(4-Isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-3-pentyl-2-thioxo-1,3-thiazolidin-4-oneRefChem:404789645-898-05-((3-(4-Isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-pentyl-2-thioxothiazolidin-4-one(Z)-5-((3-(4-isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-pentyl-2-thioxothiazolidin-4-oneSTK814635AKOS002195275(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-pentyl-2-thioxo-1,3-thiazolidin-4-oneSALOR-INT L431184-1EA4-Thiazolidinone, 5-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl]methylene]-3-pentyl-2-thioxo-
Show more names
(5Z)-5-([3-(4-ISOBUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE)-3-PENTYL-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 782
Physicochemical properties
- Boiling point
- 649.524 · 649.524±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.196 · 1.196±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.945 · -1.945±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-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
- H335-H315-H319-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Related reactions
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Compound notes
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