(2R)-2-isothiocyanatooctane
(2R)-2-isothiocyanatooctane
Also Known As: 2-Octylisothiocyanate|(2R)-2-isothiocyanatooctane|2-Octyl isothiocyanate|Octane,2-isothiocyanato-, (-)-|(R)-(-)-2-OCTYL ISOTHIOCYANATE
CAS: 69626-80-8
| Molecular Formula | C9H17NS |
|---|---|
| Molecular Weight | 171.10817 g/mol |
| LogP | 3.4481 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 171.10817 |
| Monoisotopic Mass | 171.10817 |
| Heavy Atoms | 11 |
| Complexity | 127.52442 |
Chemical Identifiers
| CAS Number | 69626-80-8 |
|---|---|
| SMILES | CCCCCC[C@@H](C)N=C=S |
Product Overview
(2R)-2-isothiocyanatooctane (CAS 69626-80-8), with molecular formula C9H17NS and molecular weight 171.10817 g/mol. IUPAC: (2R)-2-isothiocyanatooctane.
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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