(2E)-2-(2,3-Dimethoxybenzylidene)-6-phenyl-7H-[1,3]thiazolo[3,2-B][1,2,4]triazine-3,7(2H)-dione
Basic information
- CAS
463366-94-1- Standard SMILES
COc1cccc(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)c1OC- InChIKey
PZZWUUASOLCCHH-RVDMUPIBSA-N- Molecular formula
- C20H15N3O4S
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.07832714
Names & identifiers
- Preferred name
- (2E)-2-(2,3-Dimethoxybenzylidene)-6-phenyl-7H-[1,3]thiazolo[3,2-B][1,2,4]triazine-3,7(2H)-dione
- IUPAC
- (2E)-2-[(2,3-dimethoxyphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Names & synonyms
463366-94-1(2E)-2-(2,3-dimethoxybenzylidene)-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione(2E)-2-(2,3-DIMETHOXYBENZYLIDENE)-6-PHENYL-7H-(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZINE-3,7(2H)-DIONERefChem:396316644-308-92-(2,3-Dimethoxybenzylidene)-6-phenyl-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dioneSTK880831AKOS002196313
Database identifiers
- CAS
463366-94-1- PubChem CID
- 6270744
- EC Number
- 644-308-9
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 742
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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