![4-[(3,5-Dinitropyridin-2-yl)sulfanyl]pyrimidine structure](/static/products/7547/75477-69-9.webp)
4-[(3,5-Dinitropyridin-2-yl)sulfanyl]pyrimidine
TL;DR: 4-[(3,5-Dinitropyridin-2-yl)sulfanyl]pyrimidine (CAS 75477-69-9) is a chemical compound with molecular formula C9H5N5O4S and molecular weight 279.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,5-dinitro-2-pyridinyl)sulfanyl]pyrimidine
Also Known As: 4-[(3,5-dinitropyridin-2-yl)sulfanyl]pyrimidine, 4-(3,5-dinitropyridin-2-yl)sulfanylpyrimidine, 4-[(3,5-Dinitro-2-pyridinyl)thio]pyrimidine, PYRIMIDINE,4-[(3,5-DINITRO-2-PYRIDINYL)THIO]-, PYRIMIDINE, 4-((3,5-DINITRO-2-PYRIDINYL)THIO)-
| Molecular Formula | C9H5N5O4S |
|---|---|
| Molecular Weight | 279.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.00623 |
| Heavy Atoms | 19 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 75477-69-9 |
|---|---|
| SMILES | C1=CN=CN=C1SC2=C(C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DLXRYNHQBUMSAE-UHFFFAOYSA-N |
Product Overview
4-[(3,5-Dinitropyridin-2-yl)sulfanyl]pyrimidine (CAS 75477-69-9), with molecular formula C9H5N5O4S and molecular weight 279.01 g/mol. IUPAC: 4-[(3,5-dinitro-2-pyridinyl)sulfanyl]pyrimidine.
Chemical Property Profile of 4-[(3,5-Dinitropyridin-2-yl)sulfanyl]pyrimidine
Property Insights of 4-[(3,5-Dinitropyridin-2-yl)sulfanyl]pyrimidine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3,5-Dinitropyridin-2-yl)sulfanyl]pyrimidine. The TPSA of 156.0 Ų indicates high polarity, suggesting 4-[(3,5-Dinitropyridin-2-yl)sulfanyl]pyrimidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[(3,5-Dinitropyridin-2-yl)sulfanyl]pyrimidine has 0 hydrogen bond donor(s) and 8 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 4-[(3,5-Dinitropyridin-2-yl)sulfanyl]pyrimidine?
The CAS number of 4-[(3,5-Dinitropyridin-2-yl)sulfanyl]pyrimidine is 75477-69-9.
What is the molecular formula of 4-[(3,5-Dinitropyridin-2-yl)sulfanyl]pyrimidine?
The molecular formula of 4-[(3,5-Dinitropyridin-2-yl)sulfanyl]pyrimidine is C9H5N5O4S.
What is the molecular weight of 4-[(3,5-Dinitropyridin-2-yl)sulfanyl]pyrimidine?
The molecular weight of 4-[(3,5-Dinitropyridin-2-yl)sulfanyl]pyrimidine is 279.01 g/mol.
Where can I buy 4-[(3,5-Dinitropyridin-2-yl)sulfanyl]pyrimidine?
You can request a quote for 4-[(3,5-Dinitropyridin-2-yl)sulfanyl]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3,5-Dinitropyridin-2-yl)sulfanyl]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3,5-Dinitropyridin-2-yl)sulfanyl]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.