Basic information
- CAS
170466-84-9- Standard SMILES
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O- InChIKey
KYKJGMTXQIEDNW-UHFFFAOYSA-N- Molecular formula
- C15H13NO3S
- Average molar mass
- 287.3 g/mol
- Monoisotopic mass
- 287.06161445
Names & identifiers
- Preferred name
- 6-Ethyl-7-hydroxy-3-(4-methylthiazol-2-yl)-4H-chromen-4-one
- IUPAC
- 6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
- English name
- 6-Ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-4H-chromen-4-one
- Molecular formula
- C15H13NO3S
- Molecular weight
- 287.33
Names & synonyms
170466-84-96-Ethyl-7-hydroxy-3-(4-methylthiazol-2-yl)-4H-chromen-4-one6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-4H-chromen-4-one6-ethyl-7-hydroxy-3-(4-methyl(1,3-thiazol-2-yl))chromen-4-one6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-4H-1-benzopyran-4-oneMFCD00181417TimTec1_005381Oprea1_267616Oprea1_549325MLS000713555CHEMBL1380622DTXSID60419816
Show more names
AURORA 15287AKOS BBS-00000005OTAVA-BB BB01073001054H-1-Benzopyran-4-one, 6-ethyl-7-hydroxy-3-(4-methyl-2-thiazolyl)-
HMS1549E13HMS2755J176-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-oneSBB037960AKOS000267941SMR000273036CS-0336883ST50453857
Database identifiers
- CAS
170466-84-9- PubChem CID
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 425
Experimental & physicochemical properties
Solubility1.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 488.8 · 488.8±55.0 °C(Predicted)
- Density
- 1.371 · 1.371±0.06 g/cm3(Predicted)
- pka
- 6.85 · 6.85±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…