Compound C13H22OS
2,3,6-trimethyl-1-propylsulfanylhept-6-en-4-yn-3-ol
CAS: 77922-38-4
| Molecular Formula | C13H22OS |
|---|---|
| Molecular Weight | 226.38 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 45.5 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.13913 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 77922-38-4 |
|---|---|
| SMILES | CCCSCC(C)C(C)(C#CC(=C)C)O |
| InChIKey | CMSMZGJTFJRLFO-UHFFFAOYSA-N |
📖 Product Overview
Compound C13H22OS (CAS: 77922-38-4) is a chemical compound with molecular formula C13H22OS and molecular weight 226.38 g/mol. Its IUPAC systematic name is 2,3,6-trimethyl-1-propylsulfanylhept-6-en-4-yn-3-ol.
CMSMZGJTFJRLFO-UHFFFAOYSA-N.
SMILES: CCCSCC(C)C(C)(C#CC(=C)C)O.
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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📚 Academic Support
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