2-Isothiocyanato-4-methylpyridine
TL;DR: 2-Isothiocyanato-4-methylpyridine (CAS 22400-44-8) is a chemical compound with molecular formula C7H6N2S and molecular weight 150.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isothiocyanato-4-methylpyridine
Also Known As: 2-isothiocyanato-4-methylpyridine, 2-isothiocyanato-4-methyl-pyridine, Pyridine,2-isothiocyanato-4-methyl-, Pyridine, 2-isothiocyanato-4-methyl-, 4-METHYL-2-PYRIDYL ISOTHIOCYANATE
| Molecular Formula | C7H6N2S |
|---|---|
| Molecular Weight | 150.03 g/mol |
| LogP | 2.12432 |
| Topological Polar Surface Area | 25.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.02516 |
| Heavy Atoms | 10 |
| Complexity | 276.6895 |
Chemical Identifiers
| CAS Number | 22400-44-8 |
|---|---|
| SMILES | CC1=CC(=NC=C1)N=C=S |
Product Overview
2-Isothiocyanato-4-methylpyridine (CAS 22400-44-8), with molecular formula C7H6N2S and molecular weight 150.03 g/mol. IUPAC: 2-isothiocyanato-4-methylpyridine.
Chemical Property Profile of 2-Isothiocyanato-4-methylpyridine
Property Insights of 2-Isothiocyanato-4-methylpyridine
The XLogP value of 2.12432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isothiocyanato-4-methylpyridine. With a topological polar surface area (TPSA) of 25.25 Ų, 2-Isothiocyanato-4-methylpyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isothiocyanato-4-methylpyridine 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
Frequently Asked Questions
What is the CAS number of 2-Isothiocyanato-4-methylpyridine?
The CAS number of 2-Isothiocyanato-4-methylpyridine is 22400-44-8.
What is the molecular formula of 2-Isothiocyanato-4-methylpyridine?
The molecular formula of 2-Isothiocyanato-4-methylpyridine is C7H6N2S.
What is the molecular weight of 2-Isothiocyanato-4-methylpyridine?
The molecular weight of 2-Isothiocyanato-4-methylpyridine is 150.03 g/mol.
Where can I buy 2-Isothiocyanato-4-methylpyridine?
You can request a quote for 2-Isothiocyanato-4-methylpyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isothiocyanato-4-methylpyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-Isothiocyanato-4-methylpyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.