Basic information
- CAS
371776-40-8- Standard SMILES
CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S- InChIKey
DKKWATHNOGPOLH-AQTBWJFISA-N- Molecular formula
- C21H17N3OS2
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.08130452
Names & identifiers
- Preferred name
- 5-((1,3-Diphenyl-1H-pyrazol-4-YL)methylene)-3-ET-2-thioxo-1,3-thiazolidin-4-one
- IUPAC
- (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- SALOR-INT L418692-1EA
- Molecular formula
- C21H17N3OS2
- Molecular weight
- 391.51
Names & synonyms
371776-40-8RefChem:5284815-((1,3-Diphenyl-1H-pyrazol-4-YL)methylene)-3-ET-2-thioxo-1,3-thiazolidin-4-one638-506-45-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-oneSCHEMBL8377947STK449469AKOS002193260(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-oneZ44297225(5Z)-5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylene]-3-ethyl-2-thioxo-1,3-thiazolidin-4-one5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylene]-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Show more names
SALOR-INT L418692-1EA4-Thiazolidinone, 5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylene]-3-ethyl-2-thioxo-
(5Z)-5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Database identifiers
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 596
Physicochemical properties
- Boiling point
- 577.6 · 577.6±60.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- -2.35 · -2.35±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H335-H319-H315
- 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
- H413-H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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