Basic information
- CAS
607385-10-4- Standard SMILES
C=CCN1C(=O)/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21- InChIKey
GYQVVDBGGWKJBC-VLGSPTGOSA-N- Molecular formula
- C22H14N4O3S
- Average molar mass
- 414.4 g/mol
- Monoisotopic mass
- 414.07866149
Names & identifiers
- Preferred name
- (2Z)-2-(1-Allyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-phenyl-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
- IUPAC
- (2Z)-2-(2-oxo-1-prop-2-enylindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
- English name
- SALOR-INT L426695-1EA
- Molecular formula
- C22H14N4O3S
- Molecular weight
- 414.44
Names & synonyms
607385-10-4(2Z)-2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione(2Z)-2-(1-Allyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-phenyl-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dioneRefChem:399088645-537-72-(1-Allyl-2-oxoindolin-3-ylidene)-6-phenyl-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dioneSTK814177AKOS001706317(2Z)-2-(2-oxo-1-prop-2-enylindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dioneZ57783973(2Z)-2-[2-oxo-1-(prop-2-en-1-yl)-1,2-dihydro-3H-indol-3-ylidene]-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione2-(1-allyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Show more names
SALOR-INT L426695-1EA7H-Thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione, 2-[1,2-dihydro-2-oxo-1-(2-propen-1-yl)-3H-indol-3-ylidene]-6-phenyl-
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 915
Physicochemical properties
- Boiling point
- 531.6 · 531.6±60.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- -2.29 · -2.29±0.20(Predicted)
- 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
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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