Basic information
- CAS
170161-60-1- Standard SMILES
CCOC1CS(=O)C(C(C)=O)=C(C)O1- InChIKey
BTJISCUSOMBOOO-UHFFFAOYSA-N- Molecular formula
- C9H14O4S
- Average molar mass
- 218.27 g/mol
Names & identifiers
- Preferred name
- Ethanone, 1-(6-ethoxy-5,6-dihydro-2-methyl-4-oxido-1,4-oxathiin-3-yl)-(9CI)
- IUPAC
- 1-(2-ethoxy-6-methyl-4-oxo-2,3-dihydro-1,4-oxathiin-5-yl)ethanone
- English name
- Ethanone, 1-(6-ethoxy-5,6-dihydro-2-methyl-4-oxido-1,4-oxathiin-3-yl)- (9CI)
- Molecular formula
- C9H14O4S
- Molecular weight
- 218.27
Names & synonyms
170161-60-1Ethanone, 1-(6-ethoxy-5,6-dihydro-2-methyl-4-oxido-1,4-oxathiin-3-yl)- (9CI)1-(2-ethoxy-6-methyl-4-oxo-2,3-dihydro-1,4-oxathiin-5-yl)ethanoneEthanone, 1-(6-ethoxy-5,6-dihydro-2-methyl-4-oxido-1,4-oxathiin-3-yl)-
Database identifiers
- CAS
170161-60-1
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 295
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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