(2E)-6-Methyl-2-(3,4,5-trimethoxybenzylidene)-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
Basic information
- CAS
606955-61-7- Standard SMILES
COc1cc(/C=c2/sc3nc(=O)c(C)nn3c2=O)cc(OC)c1OC- InChIKey
IUBZRVSCYTYICA-KPKJPENVSA-N- Molecular formula
- C16H15N3O5S
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.07324176
Names & identifiers
- Preferred name
- (2E)-6-Methyl-2-(3,4,5-trimethoxybenzylidene)-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
- IUPAC
- (2E)-6-methyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
- English name
- SALOR-INT L438626-1EA
- Molecular formula
- C16H15N3O5S
- Molecular weight
- 361.37
Names & synonyms
606955-61-7(2E)-6-methyl-2-(3,4,5-trimethoxybenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione(2E)-6-Methyl-2-(3,4,5-trimethoxybenzylidene)-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dioneRefChem:396639644-278-76-Methyl-2-(3,4,5-trimethoxybenzylidene)-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dione(Z)-6-methyl-2-(3,4,5-trimethoxybenzylidene)-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dioneSTK813175AKOS002196558Z57782691SALOR-INT L438626-1EA6-methyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Show more names
7H-Thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione, 6-methyl-2-[(3,4,5-trimethoxyphenyl)methylene]-
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 661
Physicochemical properties
- Boiling point
- 513.4 · 513.4±60.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- -2.93 · -2.93±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- 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
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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