Compound C13H16N2O2S
6-thiocyanatohexyl pyridine-3-carboxylate
CAS: 101952-78-7
| Molecular Formula | C13H16N2O2S |
|---|---|
| Molecular Weight | 264.35 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 88.3 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 264.09326 |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 101952-78-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OCCCCCCSC#N |
| InChIKey | IESWZNJPBAPLIE-UHFFFAOYSA-N |
📖 Product Overview
Compound C13H16N2O2S (CAS: 101952-78-7) is a chemical compound with molecular formula C13H16N2O2S and molecular weight 264.35 g/mol. Its IUPAC systematic name is 6-thiocyanatohexyl pyridine-3-carboxylate.
IESWZNJPBAPLIE-UHFFFAOYSA-N.
SMILES: C1=CC(=CN=C1)C(=O)OCCCCCCSC#N.
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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