1-((2-Hydroxyethoxy)methyl)-2-thiothymine
TL;DR: 1-((2-Hydroxyethoxy)methyl)-2-thiothymine (CAS 132885-30-4) is a chemical compound with molecular formula C8H12N2O3S and molecular weight 216.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxyethoxymethyl)-5-methyl-2-sulfanylidenepyrimidin-4-one
Also Known As: butyl 4-piperidylbenzoate, 1-((2-OHEtO)Me)-2-ST, 1-((2-Hydroxyethoxy)methyl)-2-thiothymine, 1-[(2-OHEtO)Me]-2-ST, 1-[(2-Hydroxyethoxy)methyl]-2-thiothymine
| Molecular Formula | C8H12N2O3S |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | 0.18071 |
| Topological Polar Surface Area | 67.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.05687 |
| Heavy Atoms | 14 |
| Complexity | 409.7828 |
Chemical Identifiers
| CAS Number | 132885-30-4 |
|---|---|
| SMILES | CC1=CN(C(=S)NC1=O)COCCO |
Product Overview
1-((2-Hydroxyethoxy)methyl)-2-thiothymine (CAS 132885-30-4), with molecular formula C8H12N2O3S and molecular weight 216.06 g/mol. IUPAC: 1-(2-hydroxyethoxymethyl)-5-methyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 1-((2-Hydroxyethoxy)methyl)-2-thiothymine
Property Insights of 1-((2-Hydroxyethoxy)methyl)-2-thiothymine
The XLogP value of 0.18071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((2-Hydroxyethoxy)methyl)-2-thiothymine. The TPSA of 67.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((2-Hydroxyethoxy)methyl)-2-thiothymine. Following Lipinski's Rule of Five, 1-((2-Hydroxyethoxy)methyl)-2-thiothymine has 2 hydrogen bond donor(s) and 4 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 1-((2-Hydroxyethoxy)methyl)-2-thiothymine?
The CAS number of 1-((2-Hydroxyethoxy)methyl)-2-thiothymine is 132885-30-4.
What is the molecular formula of 1-((2-Hydroxyethoxy)methyl)-2-thiothymine?
The molecular formula of 1-((2-Hydroxyethoxy)methyl)-2-thiothymine is C8H12N2O3S.
What is the molecular weight of 1-((2-Hydroxyethoxy)methyl)-2-thiothymine?
The molecular weight of 1-((2-Hydroxyethoxy)methyl)-2-thiothymine is 216.06 g/mol.
Where can I buy 1-((2-Hydroxyethoxy)methyl)-2-thiothymine?
You can request a quote for 1-((2-Hydroxyethoxy)methyl)-2-thiothymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2-Hydroxyethoxy)methyl)-2-thiothymine?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-Hydroxyethoxy)methyl)-2-thiothymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.