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Butane, 1-[(trifluoromethyl)thio]-
1-(trifluoromethylsulfanyl)butane
Also Known As: Butyl trifluoromethyl sulfide|1-[(trifluoromethyl)thio]butane|1-(trifluoromethylsulfanyl)butane|Butyl(trifluoromethyl) sulfide|Butane, 1-[(trifluoromethyl)thio]-|n-Butyl trifluoromethyl sulfide|Butyl trifluoromethyl sulfide #|1-[(TRIFLUOROMETHYL)SULFANYL]BUTANE|J1.999.447C
CAS: 7412-26-2
| Molecular Formula | C5H9F3S |
|---|---|
| Molecular Weight | 158.0377 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 158.0377 |
| Monoisotopic Mass | 158.0377 |
| Heavy Atoms | 9 |
| Complexity | 69.0 |
Chemical Identifiers
| CAS Number | 7412-26-2 |
|---|---|
| SMILES | CCCCSC(F)(F)F |
| InChIKey | YAZOZCBGLHEBSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (6 patents)
Organic Building Blocks (6 patents)
Product Overview
Butane, 1-[(trifluoromethyl)thio]- (CAS 7412-26-2), with molecular formula C5H9F3S and molecular weight 158.0377 g/mol. IUPAC: 1-(trifluoromethylsulfanyl)butane.
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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