![3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid structure](/static/products/7376/73768-60-2.webp)
3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid
TL;DR: 3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid (CAS 73768-60-2) is a chemical compound with molecular formula C11H6N4O6S and molecular weight 322.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitro-2-pyrimidin-2-ylsulfanylbenzoic acid
Also Known As: 3,5-dinitro-2-pyrimidin-2-ylsulfanylbenzoic acid, 3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid
| Molecular Formula | C11H6N4O6S |
|---|---|
| Molecular Weight | 322.00 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.0008 |
| Heavy Atoms | 22 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 73768-60-2 |
|---|---|
| SMILES | C1=CN=C(N=C1)SC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
| InChIKey | TYIBMKHHXYPKEW-UHFFFAOYSA-N |
Product Overview
3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid (CAS 73768-60-2), with molecular formula C11H6N4O6S and molecular weight 322.00 g/mol. IUPAC: 3,5-dinitro-2-pyrimidin-2-ylsulfanylbenzoic acid.
Chemical Property Profile of 3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid
Property Insights of 3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid. The TPSA of 180.0 Ų indicates high polarity, suggesting 3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid has 1 hydrogen bond donor(s) and 9 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 3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid?
The CAS number of 3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid is 73768-60-2.
What is the molecular formula of 3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid?
The molecular formula of 3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid is C11H6N4O6S.
What is the molecular weight of 3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid?
The molecular weight of 3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid is 322.00 g/mol.
Where can I buy 3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid?
You can request a quote for 3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitro-2-[(pyrimidin-2-yl)sulfanyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.