(R,S)-Methyl 3-((2-hydroxyethyl)thio)-3-thymin-1-yl-propanoate
TL;DR: (R,S)-Methyl 3-((2-hydroxyethyl)thio)-3-thymin-1-yl-propanoate (CAS 117068-49-2) is a chemical compound with molecular formula C11H16N2O5S and molecular weight 288.078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(2-hydroxyethylsulfanyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
Also Known As: Thioacyclo-thymidine, (R,S)-Methyl 3-((2-hydroxyethyl)thio)-3-thymin-1-yl-propanoate, (R,S)-Methyl 3-[(2-hydroxyethyl)thio]-3-thymin-1-yl-propanoate, METHYL 3-[(2-HYDROXYETHYL)THIO]-3-THYMIN-1-YL-PROPANOATE, methyl 3-(2-hydroxyethylsulfanyl)-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoate
Technical Specifications
| Molecular Formula | C11H16N2O5S |
| Molecular Weight | 288.078 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 288.078 Da |
| Heavy Atoms | 19 |
| Complexity | 410.0 |
| SMILES | CC1=CN(C(=O)NC1=O)C(CC(=O)OC)SCCO |
| InChIKey | JRXZTKOCDRURKC-UHFFFAOYSA-N |
Chemical Property Profile of (R,S)-Methyl 3-((2-hydroxyethyl)thio)-3-thymin-1-yl-propanoate
Property Insights of (R,S)-Methyl 3-((2-hydroxyethyl)thio)-3-thymin-1-yl-propanoate
The XLogP value of -0.5 indicates that (R,S)-Methyl 3-((2-hydroxyethyl)thio)-3-thymin-1-yl-propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (R,S)-Methyl 3-((2-hydroxyethyl)thio)-3-thymin-1-yl-propanoate. Following Lipinski's Rule of Five, (R,S)-Methyl 3-((2-hydroxyethyl)thio)-3-thymin-1-yl-propanoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (R,S)-Methyl 3-((2-hydroxyethyl)thio)-3-thymin-1-yl-propanoate?
The CAS number of (R,S)-Methyl 3-((2-hydroxyethyl)thio)-3-thymin-1-yl-propanoate is 117068-49-2.
What is the molecular formula of (R,S)-Methyl 3-((2-hydroxyethyl)thio)-3-thymin-1-yl-propanoate?
The molecular formula of (R,S)-Methyl 3-((2-hydroxyethyl)thio)-3-thymin-1-yl-propanoate is C11H16N2O5S.
What is the molecular weight of (R,S)-Methyl 3-((2-hydroxyethyl)thio)-3-thymin-1-yl-propanoate?
The molecular weight of (R,S)-Methyl 3-((2-hydroxyethyl)thio)-3-thymin-1-yl-propanoate is 288.078 g/mol.
Where can I buy (R,S)-Methyl 3-((2-hydroxyethyl)thio)-3-thymin-1-yl-propanoate?
You can request a quote for (R,S)-Methyl 3-((2-hydroxyethyl)thio)-3-thymin-1-yl-propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (R,S)-Methyl 3-((2-hydroxyethyl)thio)-3-thymin-1-yl-propanoate?
Yes, CoreyChem provides custom synthesis services for (R,S)-Methyl 3-((2-hydroxyethyl)thio)-3-thymin-1-yl-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.