2-Pyridinyl thiocyanate
TL;DR: 2-Pyridinyl thiocyanate (CAS 2637-35-6) is a chemical compound with molecular formula C6H4N2S and molecular weight 136.00952 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyridin-2-yl thiocyanate
Also Known As: 2-Pyridyl thiocyanate, 2-Thiocyanatopyridine, pyridine thiocyanate, cyanomercaptopyridine, pyridin-2-yl thiocyanate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4N2S |
| Molecular Weight | 136.00952 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.00952 Da |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
| SMILES | C1=CC=NC(=C1)SC#N |
| InChIKey | YHEHNPOOVXZEHL-UHFFFAOYSA-N |
Chemical Property Profile of 2-Pyridinyl thiocyanate
Property Insights of 2-Pyridinyl thiocyanate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyridinyl thiocyanate. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pyridinyl thiocyanate. Following Lipinski's Rule of Five, 2-Pyridinyl thiocyanate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Pyridinyl thiocyanate?
The CAS number of 2-Pyridinyl thiocyanate is 2637-35-6.
What is the molecular formula of 2-Pyridinyl thiocyanate?
The molecular formula of 2-Pyridinyl thiocyanate is C6H4N2S.
What is the molecular weight of 2-Pyridinyl thiocyanate?
The molecular weight of 2-Pyridinyl thiocyanate is 136.00952 g/mol.
Where can I buy 2-Pyridinyl thiocyanate?
You can request a quote for 2-Pyridinyl thiocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Pyridinyl thiocyanate?
Yes, CoreyChem provides custom synthesis services for 2-Pyridinyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.