2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid
TL;DR: 2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid (CAS 6281-66-9) is a chemical compound with molecular formula C17H18N2O3S2 and molecular weight 362.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1-sulfonic acid
Also Known As: USAF K-2601, 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(1-sulfo-2-naphthyl)-4,4,6-trimethyl-, 1-Naphthalenesulfonic acid, 2-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-, 1-(1-Sulfo-2-naphthyl)-2-thio-4,4,6-trimethyl dihydropyrimidine, 2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid
| Molecular Formula | C17H18N2O3S2 |
|---|---|
| Molecular Weight | 362.08 g/mol |
| LogP | 3.4634 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.0759 |
| Heavy Atoms | 24 |
| Complexity | 978.4933 |
Chemical Identifiers
| CAS Number | 6281-66-9 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1C2=C(C3=CC=CC=C3C=C2)S(=O)(=O)O)(C)C |
Product Overview
2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid (CAS 6281-66-9), with molecular formula C17H18N2O3S2 and molecular weight 362.08 g/mol. IUPAC: 2-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1-sulfonic acid.
Chemical Property Profile of 2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid
Property Insights of 2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid
The XLogP value of 3.4634 indicates that 2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid. Following Lipinski's Rule of Five, 2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid has 2 hydrogen bond donor(s) and 3 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-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid?
The CAS number of 2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid is 6281-66-9.
What is the molecular formula of 2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid?
The molecular formula of 2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid is C17H18N2O3S2.
What is the molecular weight of 2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid?
The molecular weight of 2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid is 362.08 g/mol.
Where can I buy 2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid?
You can request a quote for 2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)-1-naphthalenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.