2-(Allylsulfanyl)-3-nitro-6-methylpyridine
TL;DR: 2-(Allylsulfanyl)-3-nitro-6-methylpyridine (CAS 445221-93-2) is a chemical compound with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-3-nitro-2-prop-2-enylsulfanylpyridine
Also Known As: 2-(allylsulfanyl)-3-nitro-6-methylpyridine, 6-methyl-3-nitro-2-prop-2-enylsulfanylpyridine
| Molecular Formula | C9H10N2O2S |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 2.57632 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.0463 |
| Heavy Atoms | 14 |
| Complexity | 365.82962 |
Chemical Identifiers
| CAS Number | 445221-93-2 |
|---|---|
| SMILES | CC1=NC(=C(C=C1)[N+](=O)[O-])SCC=C |
Product Overview
2-(Allylsulfanyl)-3-nitro-6-methylpyridine (CAS 445221-93-2), with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol. IUPAC: 6-methyl-3-nitro-2-prop-2-enylsulfanylpyridine.
Chemical Property Profile of 2-(Allylsulfanyl)-3-nitro-6-methylpyridine
Property Insights of 2-(Allylsulfanyl)-3-nitro-6-methylpyridine
The XLogP value of 2.57632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Allylsulfanyl)-3-nitro-6-methylpyridine. With a topological polar surface area (TPSA) of 56.03 Ų, 2-(Allylsulfanyl)-3-nitro-6-methylpyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Allylsulfanyl)-3-nitro-6-methylpyridine 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
Frequently Asked Questions
What is the CAS number of 2-(Allylsulfanyl)-3-nitro-6-methylpyridine?
The CAS number of 2-(Allylsulfanyl)-3-nitro-6-methylpyridine is 445221-93-2.
What is the molecular formula of 2-(Allylsulfanyl)-3-nitro-6-methylpyridine?
The molecular formula of 2-(Allylsulfanyl)-3-nitro-6-methylpyridine is C9H10N2O2S.
What is the molecular weight of 2-(Allylsulfanyl)-3-nitro-6-methylpyridine?
The molecular weight of 2-(Allylsulfanyl)-3-nitro-6-methylpyridine is 210.05 g/mol.
Where can I buy 2-(Allylsulfanyl)-3-nitro-6-methylpyridine?
You can request a quote for 2-(Allylsulfanyl)-3-nitro-6-methylpyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Allylsulfanyl)-3-nitro-6-methylpyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Allylsulfanyl)-3-nitro-6-methylpyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.