Pyrimidine, 2-(3-nitro-2-pyridylthio)-
TL;DR: Pyrimidine, 2-(3-nitro-2-pyridylthio)- (CAS 62782-69-8) is a chemical compound with molecular formula C9H6N4O2S and molecular weight 234.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-nitro-2-pyridinyl)sulfanyl]pyrimidine
Also Known As: 2-[ thio]pyrimidine, JJC 107, 2-(3-Nitro-2-pyridylthio)pyridine, 2-(3-nitropyridin-2-yl)sulfanylpyrimidine, Pyrimidine, 2-(3-nitro-2-pyridylthio)-
| Molecular Formula | C9H6N4O2S |
|---|---|
| Molecular Weight | 234.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.02115 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 62782-69-8 |
|---|---|
| SMILES | C1=CC(=C(N=C1)SC2=NC=CC=N2)[N+](=O)[O-] |
| InChIKey | VKHXUEUJDJXTHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrimidine, 2-(3-nitro-2-pyridylthio)- (CAS 62782-69-8), with molecular formula C9H6N4O2S and molecular weight 234.02 g/mol. IUPAC: 2-[(3-nitro-2-pyridinyl)sulfanyl]pyrimidine.
Chemical Property Profile of Pyrimidine, 2-(3-nitro-2-pyridylthio)-
Property Insights of Pyrimidine, 2-(3-nitro-2-pyridylthio)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 2-(3-nitro-2-pyridylthio)-. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine, 2-(3-nitro-2-pyridylthio)-. Following Lipinski's Rule of Five, Pyrimidine, 2-(3-nitro-2-pyridylthio)- has 0 hydrogen bond donor(s) and 6 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 Pyrimidine, 2-(3-nitro-2-pyridylthio)-?
The CAS number of Pyrimidine, 2-(3-nitro-2-pyridylthio)- is 62782-69-8.
What is the molecular formula of Pyrimidine, 2-(3-nitro-2-pyridylthio)-?
The molecular formula of Pyrimidine, 2-(3-nitro-2-pyridylthio)- is C9H6N4O2S.
What is the molecular weight of Pyrimidine, 2-(3-nitro-2-pyridylthio)-?
The molecular weight of Pyrimidine, 2-(3-nitro-2-pyridylthio)- is 234.02 g/mol.
Where can I buy Pyrimidine, 2-(3-nitro-2-pyridylthio)-?
You can request a quote for Pyrimidine, 2-(3-nitro-2-pyridylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 2-(3-nitro-2-pyridylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 2-(3-nitro-2-pyridylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.