(5E)-2-(4-Bromophenyl)-5-(3,4,5-trimethoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
Basic information
- CAS
606952-80-1- Standard SMILES
COc1cc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc(OC)c1OC- InChIKey
BBCYDZFKDKMWEX-MHWRWJLKSA-N- Molecular formula
- C20H16BrN3O4S
- Average molar mass
- 474.3 g/mol
- Monoisotopic mass
- 473.00449
Names & identifiers
- Preferred name
- (5E)-2-(4-Bromophenyl)-5-(3,4,5-trimethoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
- IUPAC
- (5E)-2-(4-bromophenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Names & synonyms
(5E)-2-(4-bromophenyl)-5-(3,4,5-trimethoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one606952-80-1(5E)-2-(4-Bromophenyl)-5-(3,4,5-trimethoxybenzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-oneRefChem:404245645-743-72-(4-Bromophenyl)-5-(3,4,5-trimethoxybenzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-oneSTK814476AKOS002195378Z57784318
Database identifiers
- CAS
606952-80-1- PubChem CID
- 2060741
- EC Number
- 645-743-7
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 617
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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