Compound C12H14N2O2S
5-thiocyanatopentyl pyridine-3-carboxylate
CAS: 101952-79-8
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.32 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 88.3 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 101952-79-8 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OCCCCCSC#N |
| InChIKey | MIEUZIWGYDQEJP-UHFFFAOYSA-N |
📖 Product Overview
Compound C12H14N2O2S (CAS: 101952-79-8) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.32 g/mol. Its IUPAC systematic name is 5-thiocyanatopentyl pyridine-3-carboxylate.
MIEUZIWGYDQEJP-UHFFFAOYSA-N.
SMILES: C1=CC(=CN=C1)C(=O)OCCCCCSC#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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📚 Academic Support
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