Basic information
- CAS
624723-97-3- Standard SMILES
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1Cl- InChIKey
STFOIKQNCAETAX-HAHDFKILSA-N- Molecular formula
- C26H24ClN3O2S2
- Average molar mass
- 510.1 g/mol
- Monoisotopic mass
- 509.0998471
Names & identifiers
- Preferred name
- (5Z)-5-((3-(3-Chloro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-3-cyclohexyl-2-thioxo-1,3-thiazolidin-4-one
- IUPAC
- (5Z)-5-[[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- SALOR-INT L421847-1EA
- Molecular formula
- C26H24ClN3O2S2
- Molecular weight
- 510.07
Names & synonyms
624723-97-3(5Z)-5-{[3-(3-chloro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-3-cyclohexyl-2-thioxo-1,3-thiazolidin-4-one(5Z)-5-((3-(3-Chloro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-3-cyclohexyl-2-thioxo-1,3-thiazolidin-4-oneRefChem:404676637-902-4SALOR-INT L421847-1EA5-((3-(3-Chloro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-cyclohexyl-2-thioxothiazolidin-4-oneSTK813754AKOS002193543(5Z)-5-{[3-(3-chloro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-cyclohexyl-2-thioxo-1,3-thiazolidin-4-one(5Z)-5-([3-(3-CHLORO-4-METHOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE)-3-CYCLOHEXYL-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
Database identifiers
- CAS
624723-97-3- PubChem CID
- 6242467
- EC Number
- 637-902-4
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 784
Physicochemical properties
- Boiling point
- 670.038 · 670.038±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.379 · 1.379±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.578 · -2.578±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- 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, 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-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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