Ethanone, 1-(2,4-dihydroxyphenyl)-2-(4-thiazolyl)-
Basic information
- CAS
51625-76-4- Standard SMILES
O=C(Cc1cscn1)c1ccc(O)cc1O- InChIKey
HSILQTPMMDYSRP-UHFFFAOYSA-N- Molecular formula
- C11H9NO3S
- Average molar mass
- 235.26 g/mol
- Monoisotopic mass
- 235.03031432
Names & identifiers
- Preferred name
- Ethanone, 1-(2,4-dihydroxyphenyl)-2-(4-thiazolyl)-
- IUPAC
- 1-(2,4-dihydroxyphenyl)-2-(1,3-thiazol-4-yl)ethanone
Names & synonyms
51625-76-4Ethanone, 1-(2,4-dihydroxyphenyl)-2-(4-thiazolyl)-1-(2,4-dihydroxyphenyl)-2-(1,3-thiazol-4-yl)ethan-1-oneMLS000038401Oprea1_288456Oprea1_847826IFLab1_000420IFLab2_000187CHEMBL1469770DTXSID70349711HMS1413D02HMS2288N22
Show more names
AKOS002347064IDI1_008639IDI1_019213NCGC00021001-01NCGC00021001-02SMR000038991ST50456474SR-01000002852
Database identifiers
- CAS
51625-76-4- PubChem CID
- 658079
- DTXSID
DTXSID70349711- ChEMBL
CHEMBL1469770
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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