6-((3-Chlorophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
TL;DR: 6-((3-Chlorophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine (CAS 125056-61-3) is a chemical compound with molecular formula C14H15ClN2O4S and molecular weight 342.0441 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(3-chlorophenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Also Known As: 3'-ClHEPT, HEPT deriv., 6-((3-Chlorophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine, 6-(3-Chlorophenylthio)-1-(2-hydroxyethoxymethyl)thymine, 6-[(3-Chlorophenyl)thio]-1-[(2-hydroxyethoxy)methyl]thymine
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H15ClN2O4S |
| Molecular Weight | 342.0441 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.0441 Da |
| Heavy Atoms | 22 |
| Complexity | 472.0 |
| SMILES | CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC(=CC=C2)Cl |
| InChIKey | XAZQEUGIDTXFHD-UHFFFAOYSA-N |
Chemical Property Profile of 6-((3-Chlorophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
Property Insights of 6-((3-Chlorophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((3-Chlorophenyl)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-Chlorophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine. Following Lipinski's Rule of Five, 6-((3-Chlorophenyl)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
What is the CAS number of 6-((3-Chlorophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
The CAS number of 6-((3-Chlorophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine is 125056-61-3.
What is the molecular formula of 6-((3-Chlorophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
The molecular formula of 6-((3-Chlorophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine is C14H15ClN2O4S.
What is the molecular weight of 6-((3-Chlorophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
The molecular weight of 6-((3-Chlorophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine is 342.0441 g/mol.
Where can I buy 6-((3-Chlorophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
You can request a quote for 6-((3-Chlorophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-((3-Chlorophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine?
Yes, CoreyChem provides custom synthesis services for 6-((3-Chlorophenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.