Undecyl isothiocyanate
1-isothiocyanatoundecane
Also Known As: Undecyl isothiocyanate|1-Isothiocyanatoundecane|1-Isothiocyanatoundecane #|Undecane,1-isothiocyanato-|Benzenepropanenitrile, 3,5-dimethyl-
CAS: 19010-96-9
| Molecular Formula | C12H23NS |
|---|---|
| Molecular Weight | 213.15512 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 213.15512 |
| Monoisotopic Mass | 213.15512 |
| Heavy Atoms | 14 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 19010-96-9 |
|---|---|
| SMILES | CCCCCCCCCCCN=C=S |
| InChIKey | CFGGVVRPLBWNDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (1 patents)
Catalysts (8 patents)
Coatings & Adhesives (1 patents)
Food Additives (2 patents)
Organic Building Blocks (15 patents)
Organometallic Reagents (5 patents)
Pharmaceutical Intermediates (4 patents)
Polymer Intermediates (47 patents)
Product Overview
Undecyl isothiocyanate (CAS 19010-96-9), with molecular formula C12H23NS and molecular weight 213.15512 g/mol. IUPAC: 1-isothiocyanatoundecane.
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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