1-((2-Hydroxyethoxy)methyl)-6-((2-nitrophenyl)thio)thymine
TL;DR: 1-((2-Hydroxyethoxy)methyl)-6-((2-nitrophenyl)thio)thymine (CAS 125056-66-8) is a chemical compound with molecular formula C14H15N3O6S and molecular weight 353.06815 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-hydroxyethoxymethyl)-5-methyl-6-(2-nitrophenyl)sulfanylpyrimidine-2,4-dione
Also Known As: HEPT deriv., 2'-NO2HEPT, 1-((2-Hydroxyethoxy)methyl)-6-((2-nitrophenyl)thio)thymine, 6-(2-Nitrophenylthio)-1-(2-hydroxyethoxymethyl)thymine, 1-<(2-hydroxyethoxy)methyl>-6-<(2-nitrophenyl)thio>thymine
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H15N3O6S |
| Molecular Weight | 353.06815 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.06815 Da |
| Heavy Atoms | 24 |
| Complexity | 547.0 |
| SMILES | CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | FHUSIFJQECQBMI-UHFFFAOYSA-N |
Chemical Property Profile of 1-((2-Hydroxyethoxy)methyl)-6-((2-nitrophenyl)thio)thymine
Property Insights of 1-((2-Hydroxyethoxy)methyl)-6-((2-nitrophenyl)thio)thymine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((2-Hydroxyethoxy)methyl)-6-((2-nitrophenyl)thio)thymine. The TPSA of 150.0 Ų indicates high polarity, suggesting 1-((2-Hydroxyethoxy)methyl)-6-((2-nitrophenyl)thio)thymine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-((2-Hydroxyethoxy)methyl)-6-((2-nitrophenyl)thio)thymine has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-((2-Hydroxyethoxy)methyl)-6-((2-nitrophenyl)thio)thymine?
The CAS number of 1-((2-Hydroxyethoxy)methyl)-6-((2-nitrophenyl)thio)thymine is 125056-66-8.
What is the molecular formula of 1-((2-Hydroxyethoxy)methyl)-6-((2-nitrophenyl)thio)thymine?
The molecular formula of 1-((2-Hydroxyethoxy)methyl)-6-((2-nitrophenyl)thio)thymine is C14H15N3O6S.
What is the molecular weight of 1-((2-Hydroxyethoxy)methyl)-6-((2-nitrophenyl)thio)thymine?
The molecular weight of 1-((2-Hydroxyethoxy)methyl)-6-((2-nitrophenyl)thio)thymine is 353.06815 g/mol.
Where can I buy 1-((2-Hydroxyethoxy)methyl)-6-((2-nitrophenyl)thio)thymine?
You can request a quote for 1-((2-Hydroxyethoxy)methyl)-6-((2-nitrophenyl)thio)thymine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-((2-Hydroxyethoxy)methyl)-6-((2-nitrophenyl)thio)thymine?
Yes, CoreyChem provides custom synthesis services for 1-((2-Hydroxyethoxy)methyl)-6-((2-nitrophenyl)thio)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.