6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
TL;DR: 6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine (CAS 137897-65-5) is a chemical compound with molecular formula C16H20N2O4S and molecular weight 336.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-ethylphenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Also Known As: 3'-EtHEPT, HEPT deriv., 6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine, 6-(3-Ethylphenylthio)-1-(2-hydroxyethoxymethyl)thymine, 6-[(3-Ethylphenyl)thio]-1-[(2-hydroxyethoxy)methyl]thymine
| Molecular Formula | C16H20N2O4S |
|---|---|
| Molecular Weight | 336.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.11438 |
| Heavy Atoms | 23 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 137897-65-5 |
|---|---|
| SMILES | CCC1=CC(=CC=C1)SC2=C(C(=O)NC(=O)N2COCCO)C |
| InChIKey | SFEDJTBLPUXZCL-UHFFFAOYSA-N |
Product Overview
6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine (CAS 137897-65-5), with molecular formula C16H20N2O4S and molecular weight 336.11 g/mol. IUPAC: 6-(3-ethylphenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
Property Insights of 6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine. Following Lipinski's Rule of Five, 6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine has 2 hydrogen bond donor(s) and 5 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 6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
The CAS number of 6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine is 137897-65-5.
What is the molecular formula of 6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
The molecular formula of 6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine is C16H20N2O4S.
What is the molecular weight of 6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
The molecular weight of 6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine is 336.11 g/mol.
Where can I buy 6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
You can request a quote for 6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
Yes, KEHONG BIO provides custom synthesis services for 6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.