5,5-Dimethyl-4-thia-1-hexene
2-methyl-2-prop-2-enylsulfanylpropane
Also Known As: 5,5-dimethyl-4-thia-1-hexene|Allyl tert-butyl sulfide|Allylsec-butylsulfide|allyl t-butyl sulfide|allyl(tert-butyl)sulfane|Allyl Sec-Butyl Sulfide|Allyl tert-butyl sulphide|2-methyl-2-prop-2-enylsulfanylpropane|3-(tert-butylsulfanyl)prop-1-ene|4-Thia-5,5-dimethyl-1-hexene|3-((1,1-Dimethylethyl)thio)-1-propene|3-((1,1-Dimethylethyl)-thio)-1-propene
CAS: 37850-75-2
| Molecular Formula | C7H14S |
|---|---|
| Molecular Weight | 130.08162 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.08162 |
| Monoisotopic Mass | 130.08162 |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 37850-75-2 |
|---|---|
| SMILES | CC(C)(C)SCC=C |
| InChIKey | XIBMCVKDUXKQRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (19 patents)
Organic Building Blocks (30 patents)
Peptides & Amino Acids (14 patents)
Pharmaceutical Intermediates (1 patents)
Product Overview
5,5-Dimethyl-4-thia-1-hexene (CAS 37850-75-2), with molecular formula C7H14S and molecular weight 130.08162 g/mol. IUPAC: 2-methyl-2-prop-2-enylsulfanylpropane.
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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