2,2,6,6-Tetramethylthiabicyclohexane
2,2,6,6-tetramethylthiane
Also Known As: 2,2,6,6-tetramethylthiane|2,2,6,6-Tetramethylthiabicyclohexane|2,2,6,6-tetramethylthiacyclohexane|2H-Thiopyran, tetrahydro-2,2,6,6-tetramethyl-|2,2,6,6-Tetramethyltetrahydro-2H-thiopyran #
CAS: 78050-22-3
| Molecular Formula | C9H18S |
|---|---|
| Molecular Weight | 158.11292 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.11292 |
| Monoisotopic Mass | 158.11292 |
| Heavy Atoms | 10 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 78050-22-3 |
|---|---|
| SMILES | CC1(CCCC(S1)(C)C)C |
| InChIKey | LLUMFBAGZHZJQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (1 patents)
Product Overview
2,2,6,6-Tetramethylthiabicyclohexane (CAS 78050-22-3), with molecular formula C9H18S and molecular weight 158.11292 g/mol. IUPAC: 2,2,6,6-tetramethylthiane.
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.
View MSDS →
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