Chromone, 6-ethyl-7-hydroxy-3-(2-methylthiazol-4-yl)-, acetate (ester)
Basic information
- CAS
80761-86-0- Standard SMILES
CCc1cc2c(=O)c(-c3csc(C)n3)coc2cc1OC(C)=O- InChIKey
OZPWUAPSQDPYDZ-UHFFFAOYSA-N- Molecular formula
- C17H15NO4S
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.07217913
Names & identifiers
- Preferred name
- Chromone, 6-ethyl-7-hydroxy-3-(2-methylthiazol-4-yl)-, acetate (ester)
- IUPAC
- [6-ethyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl] acetate
- English name
- 6-ethyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl acetate
- Molecular formula
- C17H15NO4S
- Molecular weight
- 329.37
Names & synonyms
BRN 51238833-(2-Methyl-4-thiazolyl)-6-ethyl-7-acetoxychromanone80761-86-0Chromone, 6-ethyl-7-hydroxy-3-(2-methylthiazol-4-yl)-, acetate (ester)6-Ethyl-7-hydroxy-3-(2-methylthiazol-4-yl)chromone acetate (ester)4H-1-Benzopyran-4-one, 7-(acetyloxy)-6-ethyl-3-(2-methyl-4-thiazolyl)-DTXSID20230625RefChem:334081DTXCID501531166-ethyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl acetate6-ethyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl acetateOprea1_298649
Show more names
ACETIC ACID 6-ETHYL-3-(2-METHYL-THIAZOL-4-YL)-4-OXO-4H-CHROMEN-7-YL ESTER
Oprea1_619308STL512521AKOS0243435096-Ethyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-1-benzopyran-7-yl acetate
Database identifiers
- CAS
80761-86-0- PubChem CID
- 854582
- DTXSID
DTXSID20230625- EC Number
- 166-505-4
- Nikkaji
- J92.332J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 521
Physicochemical properties
- Boiling point
- 514.5 · 514.5±50.0 °C(Predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- pka
- 2.01 · 2.01±0.10(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Compound notes
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