5,7-Dithiaundecane
1-(butylsulfanylmethylsulfanyl)butane
Also Known As: 5,7-dithiaundecane|1-(butylsulfanylmethylsulfanyl)butane|NCIOpen2_001696|Butyl(butylthio)methyl sulfide|1-{[(butylsulfanyl)methyl]sulfanyl}butane
CAS: 4431-80-5
| Molecular Formula | C9H20S2 |
|---|---|
| Molecular Weight | 192.10065 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 192.10065 |
| Monoisotopic Mass | 192.10065 |
| Heavy Atoms | 11 |
| Complexity | 56.0 |
Chemical Identifiers
| CAS Number | 4431-80-5 |
|---|---|
| SMILES | CCCCSCSCCCC |
| InChIKey | OESNWCOMTJFAIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (5 patents)
Heterocyclic Building Blocks (6 patents)
Organic Building Blocks (9 patents)
Product Overview
5,7-Dithiaundecane (CAS 4431-80-5), with molecular formula C9H20S2 and molecular weight 192.10065 g/mol. IUPAC: 1-(butylsulfanylmethylsulfanyl)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.
View MSDS →
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