Nonyl thiocyanatoacetate
nonyl 2-thiocyanatoacetate
Also Known As: nonyl thiocyanatoacetate|nonyl 2-thiocyanatoacetate|Nonyl (thiocyanato)acetate|Acetic acid,2-thiocyanato-, nonyl ester|Acetic acid,2-thiocyanato-,nonyl ester
CAS: 6051-53-2
| Molecular Formula | C12H21NO2S |
|---|---|
| Molecular Weight | 243.1293 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 243.1293 |
| Monoisotopic Mass | 243.1293 |
| Heavy Atoms | 16 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 6051-53-2 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)CSC#N |
| InChIKey | SIHOUGOBKTZDCZ-UHFFFAOYSA-N |
Product Overview
Nonyl thiocyanatoacetate (CAS 6051-53-2), with molecular formula C12H21NO2S and molecular weight 243.1293 g/mol. IUPAC: nonyl 2-thiocyanatoacetate.
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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