Cyclooctyl isothiocyanate
isothiocyanatocyclooctane
Also Known As: Cyclooctyl isothiocyanate|isothiocyanatocyclooctane|cyclooctanisothiocyanate|CYCLOOCTylisoTHIOCYANATE|ACMC-20alc8|Cyclooctane,isothiocyanato|Cyclooctane,isothiocyanato-|0580AE|FS-4767|I09-2531
CAS: 33522-04-2
| Molecular Formula | C9H15NS |
|---|---|
| Molecular Weight | 169.09251 g/mol |
| LogP | 3.2021 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.09251 |
| Monoisotopic Mass | 169.09251 |
| Heavy Atoms | 11 |
| Complexity | 141.64172 |
Chemical Identifiers
| CAS Number | 33522-04-2 |
|---|---|
| SMILES | C1CCCC(CCC1)N=C=S |
Product Overview
Cyclooctyl isothiocyanate (CAS 33522-04-2), with molecular formula C9H15NS and molecular weight 169.09251 g/mol. IUPAC: isothiocyanatocyclooctane.
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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