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2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]pyridine
TL;DR: 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]pyridine (CAS 358731-01-8) is a chemical compound with molecular formula C9H8N4O2S and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]pyridine
Also Known As: 2-((3-Methyl-4-nitro-1H-pyrazol-5-yl)thio)pyridine, 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]pyridine, 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]pyridine, 3-methyl-4-nitro-5-(2-pyridylthio)pyrazole, 2-(5-METHYL-4-NITRO-2H-PYRAZOL-3-YLSULFANYL)-PYRIDINE
| Molecular Formula | C9H8N4O2S |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.0368 |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 358731-01-8 |
|---|---|
| SMILES | CC1=C(C(=NN1)SC2=CC=CC=N2)[N+](=O)[O-] |
| InChIKey | ZLKDMPIVTPKSDD-UHFFFAOYSA-N |
Product Overview
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]pyridine (CAS 358731-01-8), with molecular formula C9H8N4O2S and molecular weight 236.04 g/mol. IUPAC: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]pyridine.
Chemical Property Profile of 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]pyridine
Property Insights of 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]pyridine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]pyridine. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]pyridine. Following Lipinski's Rule of Five, 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]pyridine has 1 hydrogen bond donor(s) and 5 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-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]pyridine?
The CAS number of 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]pyridine is 358731-01-8.
What is the molecular formula of 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]pyridine?
The molecular formula of 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]pyridine is C9H8N4O2S.
What is the molecular weight of 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]pyridine?
The molecular weight of 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]pyridine is 236.04 g/mol.
Where can I buy 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]pyridine?
You can request a quote for 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.