1,4-Oxathiepan-2-one, 3,3-dimethyl-
6,6-dimethyl-1,4-oxathiepan-7-one
Also Known As: 6,6-Dimethyl-1,4-oxathiepan-7-one|3,3-Dimethyl-1,4-oxathiepan-2-one|1,4-Oxathiepan-2-one, 3,3-dimethyl-|6,6-Dimethyl-1,4-oxathiepan-7-one #
CAS: 35562-79-9
| Molecular Formula | C7H12O2S |
|---|---|
| Molecular Weight | 160.0558 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.0558 |
| Monoisotopic Mass | 160.0558 |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 35562-79-9 |
|---|---|
| SMILES | CC1(CSCCOC1=O)C |
| InChIKey | LYFNNCHZCYSELY-UHFFFAOYSA-N |
Product Overview
1,4-Oxathiepan-2-one, 3,3-dimethyl- (CAS 35562-79-9), with molecular formula C7H12O2S and molecular weight 160.0558 g/mol. IUPAC: 6,6-dimethyl-1,4-oxathiepan-7-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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