(5E)-5-(2-Ethoxybenzylidene)-2-(4-methylphenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
Basic information
- CAS
606954-25-0- Standard SMILES
CCOc1ccccc1/C=c1/sc2nc(-c3ccc(C)cc3)nn2c1=O- InChIKey
ILCUPNNDQCYBBO-SFQUDFHCSA-N- Molecular formula
- C20H17N3O2S
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.10414797
Names & identifiers
- Preferred name
- (5E)-5-(2-Ethoxybenzylidene)-2-(4-methylphenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
- IUPAC
- (5E)-5-[(2-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
- English name
- SALOR-INT L427578-1EA
- Molecular formula
- C20H17N3O2S
- Molecular weight
- 363.43
Names & synonyms
606954-25-0(5E)-5-(2-ethoxybenzylidene)-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one(5E)-5-(2-Ethoxybenzylidene)-2-(4-methylphenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-oneRefChem:404308645-528-85-(2-Ethoxybenzylidene)-2-(p-tolyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-oneSTK814254AKOS002193819SALOR-INT L427578-1EAThiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-[(2-ethoxyphenyl)methylene]-2-(4-methylphenyl)-
Database identifiers
- CAS
606954-25-0- PubChem CID
- 5897895
- EC Number
- 645-528-8
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 547
Physicochemical properties
- Boiling point
- 573.7 · 573.7±60.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- -2.13 · -2.13±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-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
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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