2,4-Dinitropyrimidinyl-2-thiophenol
TL;DR: 2,4-Dinitropyrimidinyl-2-thiophenol (CAS 7696-91-5) is a chemical compound with molecular formula C10H6N4O4S and molecular weight 278.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitrophenyl)sulfanylpyrimidine
Also Known As: Pyrimidine, 2-((2,4-dinitrophenyl)thio)-, starbld0040671, Jcc 216, 2-(2,4-dinitrophenyl)sulfanylpyrimidine, 2,4-Dinitropyrimidinyl-2-thiophenol
| Molecular Formula | C10H6N4O4S |
|---|---|
| Molecular Weight | 278.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.011 |
| Heavy Atoms | 19 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 7696-91-5 |
|---|---|
| SMILES | C1=CN=C(N=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UDWLPPBHVNQRBL-UHFFFAOYSA-N |
Product Overview
2,4-Dinitropyrimidinyl-2-thiophenol (CAS 7696-91-5), with molecular formula C10H6N4O4S and molecular weight 278.01 g/mol. IUPAC: 2-(2,4-dinitrophenyl)sulfanylpyrimidine.
Chemical Property Profile of 2,4-Dinitropyrimidinyl-2-thiophenol
Property Insights of 2,4-Dinitropyrimidinyl-2-thiophenol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dinitropyrimidinyl-2-thiophenol. The TPSA of 143.0 Ų indicates high polarity, suggesting 2,4-Dinitropyrimidinyl-2-thiophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-Dinitropyrimidinyl-2-thiophenol has 0 hydrogen bond donor(s) and 7 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 2,4-Dinitropyrimidinyl-2-thiophenol?
The CAS number of 2,4-Dinitropyrimidinyl-2-thiophenol is 7696-91-5.
What is the molecular formula of 2,4-Dinitropyrimidinyl-2-thiophenol?
The molecular formula of 2,4-Dinitropyrimidinyl-2-thiophenol is C10H6N4O4S.
What is the molecular weight of 2,4-Dinitropyrimidinyl-2-thiophenol?
The molecular weight of 2,4-Dinitropyrimidinyl-2-thiophenol is 278.01 g/mol.
Where can I buy 2,4-Dinitropyrimidinyl-2-thiophenol?
You can request a quote for 2,4-Dinitropyrimidinyl-2-thiophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitropyrimidinyl-2-thiophenol?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitropyrimidinyl-2-thiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.