Basic information
- CAS
606955-45-7- Standard SMILES
CCCCOc1ccc(-c2nc3s/c(=C/c4cccc(F)c4)c(=O)n3n2)cc1- InChIKey
ZRCUJWQDHSIQEY-QGOAFFKASA-N- Molecular formula
- C21H18FN3O2S
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.11037616
Names & identifiers
- Preferred name
- (5E)-2-(4-Butoxyphenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-B][1,2,4]triazol-6(5H)-one
- IUPAC
- (5E)-2-(4-butoxyphenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
- English name
- SALOR-INT L425540-1EA
- Molecular formula
- C21H18FN3O2S
- Molecular weight
- 395.45
Names & synonyms
606955-45-7(5E)-2-(4-butoxyphenyl)-5-(3-fluorobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one(5E)-2-(4-BUTOXYPHENYL)-5-(3-FLUOROBENZYLIDENE)(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZOL-6(5H)-ONERefChem:404253645-399-82-(4-Butoxyphenyl)-5-(3-fluorobenzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-oneSTK814082AKOS001685949SALOR-INT L425540-1EA
Database identifiers
- CAS
606955-45-7- PubChem CID
- 2190503
- EC Number
- 645-399-8
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 582
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- 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, 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-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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