(5E)-5-(4-Butoxybenzylidene)-2-(3-methyl-1-benzofuran-2-YL)[1,3]thiazolo[3,2-B][1,2,4]triazol-6(5H)-one
Basic information
- CAS
606955-13-9- Standard SMILES
CCCCOc1ccc(/C=c2/sc3nc(-c4oc5ccccc5c4C)nn3c2=O)cc1- InChIKey
CEAUOSPCLJQEQM-XSFVSMFZSA-N- Molecular formula
- C24H21N3O3S
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.13036271
Names & identifiers
- Preferred name
- (5E)-5-(4-Butoxybenzylidene)-2-(3-methyl-1-benzofuran-2-YL)[1,3]thiazolo[3,2-B][1,2,4]triazol-6(5H)-one
- IUPAC
- (5E)-5-[(4-butoxyphenyl)methylidene]-2-(3-methyl-1-benzofuran-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Names & synonyms
606955-13-9(5E)-5-(4-butoxybenzylidene)-2-(3-methyl-1-benzofuran-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one(5E)-5-(4-BUTOXYBENZYLIDENE)-2-(3-METHYL-1-BENZOFURAN-2-YL)(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZOL-6(5H)-ONERefChem:404335645-475-0SALOR-INT L426210-1EA5-(4-Butoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-oneSTK814138AKOS002194003
Database identifiers
- CAS
606955-13-9- PubChem CID
- 5776110
- EC Number
- 645-475-0
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 681
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%)
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Compound notes
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