Nicotinic acid, 5-thiocyanatopentyl ester
TL;DR: Nicotinic acid, 5-thiocyanatopentyl ester (CAS 101952-79-8) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-thiocyanatopentyl pyridine-3-carboxylate
Also Known As: 5-Thiocyanatopentyl nicotinate, 5-Thiocyanatopentyl=nicotinate, 5-thiocyanatopentyl pyridine-3-carboxylate, NICOTINIC ACID, 5-THIOCYANATOPENTYL ESTER, 5-(Thiocyanato)pentyl pyridine-3-carboxylate
Technical Specifications
| Molecular Formula | C12H14N2O2S |
| Molecular Weight | 250.0776 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.0776 Da |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
| SMILES | C1=CC(=CN=C1)C(=O)OCCCCCSC#N |
| InChIKey | MIEUZIWGYDQEJP-UHFFFAOYSA-N |
Chemical Property Profile of Nicotinic acid, 5-thiocyanatopentyl ester
Property Insights of Nicotinic acid, 5-thiocyanatopentyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinic acid, 5-thiocyanatopentyl ester. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicotinic acid, 5-thiocyanatopentyl ester. Following Lipinski's Rule of Five, Nicotinic acid, 5-thiocyanatopentyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Nicotinic acid, 5-thiocyanatopentyl ester?
The CAS number of Nicotinic acid, 5-thiocyanatopentyl ester is 101952-79-8.
What is the molecular formula of Nicotinic acid, 5-thiocyanatopentyl ester?
The molecular formula of Nicotinic acid, 5-thiocyanatopentyl ester is C12H14N2O2S.
What is the molecular weight of Nicotinic acid, 5-thiocyanatopentyl ester?
The molecular weight of Nicotinic acid, 5-thiocyanatopentyl ester is 250.0776 g/mol.
Where can I buy Nicotinic acid, 5-thiocyanatopentyl ester?
You can request a quote for Nicotinic acid, 5-thiocyanatopentyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nicotinic acid, 5-thiocyanatopentyl ester?
Yes, CoreyChem provides custom synthesis services for Nicotinic acid, 5-thiocyanatopentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.