5-Isothiocyanonicotine
TL;DR: 5-Isothiocyanonicotine (CAS 156577-11-6) is a chemical compound with molecular formula C11H13N3S and molecular weight 219.08302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-isothiocyanato-5-(1-methylpyrrolidin-2-yl)pyridine
Also Known As: Iscn-N, 5-Isothiocyanonicotine, (R,S)-5-Isothiocyanonicotine, 3-isothiocyanato-5-(1-methylpyrrolidin-2-yl)pyridine, Pyridine, 3-isothiocyanato-5-(1-methyl-2-pyrrolidinyl)-, (+-)-
Technical Specifications
| Molecular Formula | C11H13N3S |
| Molecular Weight | 219.08302 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 60.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.08302 Da |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
| SMILES | CN1CCCC1C2=CC(=CN=C2)N=C=S |
| InChIKey | PCFYBKBQWQQVTD-UHFFFAOYSA-N |
Chemical Property Profile of 5-Isothiocyanonicotine
Property Insights of 5-Isothiocyanonicotine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isothiocyanonicotine. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Isothiocyanonicotine. Following Lipinski's Rule of Five, 5-Isothiocyanonicotine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Isothiocyanonicotine?
The CAS number of 5-Isothiocyanonicotine is 156577-11-6.
What is the molecular formula of 5-Isothiocyanonicotine?
The molecular formula of 5-Isothiocyanonicotine is C11H13N3S.
What is the molecular weight of 5-Isothiocyanonicotine?
The molecular weight of 5-Isothiocyanonicotine is 219.08302 g/mol.
Where can I buy 5-Isothiocyanonicotine?
You can request a quote for 5-Isothiocyanonicotine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Isothiocyanonicotine?
Yes, CoreyChem provides custom synthesis services for 5-Isothiocyanonicotine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.