1-(8-Acetylphenoxathiin-2-yl)ethanone
Basic information
- CAS
6164-33-6- Standard SMILES
CC(=O)c1ccc2c(c1)Sc1cc(C(C)=O)ccc1O2- InChIKey
KZJDSILKHOJSFN-UHFFFAOYSA-N- Molecular formula
- C16H12O3S
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.05071541
Names & identifiers
- Preferred name
- 1-(8-Acetylphenoxathiin-2-yl)ethanone
- IUPAC
- 1-(8-acetylphenoxathiin-2-yl)ethanone
Names & synonyms
1-(8-acetylphenoxathiin-2-yl)ethanone6164-33-62,8-Diacetylphenoxathin2,8-diacetylphenoxathiinSCHEMBL5358787DTXSID60332819KZJDSILKHOJSFN-UHFFFAOYSA-N1-(8-Acetyl-phenoxathiin-2-yl)-ethanone1,1'-(Phenoxathiine-2,8-diyl)di(ethan-1-one)
Database identifiers
- CAS
6164-33-6- PubChem CID
- 467587
- DTXSID
DTXSID60332819
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
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Compound notes
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