6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine
TL;DR: 6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine (CAS 137897-73-5) is a chemical compound with molecular formula C16H20N2O3S2 and molecular weight 352.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,5-dimethylphenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-methyl-2-sulfanylidenepyrimidin-4-one
Also Known As: HEPT deriv., 3',5'-DiMeHEPT-S, 6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine, 6-[(3,5-Dimethylphenyl)thio]-1-[(2-hydroxyethoxy)methyl]-2-thiothymine, 6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-5-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C16H20N2O3S2 |
|---|---|
| Molecular Weight | 352.09 g/mol |
| LogP | 2.94875 |
| Topological Polar Surface Area | 67.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.09152 |
| Heavy Atoms | 23 |
| Complexity | 791.69824 |
Chemical Identifiers
| CAS Number | 137897-73-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=S)N2COCCO)C)C |
Product Overview
6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine (CAS 137897-73-5), with molecular formula C16H20N2O3S2 and molecular weight 352.09 g/mol. IUPAC: 6-(3,5-dimethylphenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-methyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine
Property Insights of 6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine
The XLogP value of 2.94875 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine. The TPSA of 67.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine. Following Lipinski's Rule of Five, 6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine 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-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine?
The CAS number of 6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine is 137897-73-5.
What is the molecular formula of 6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine?
The molecular formula of 6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine is C16H20N2O3S2.
What is the molecular weight of 6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine?
The molecular weight of 6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine is 352.09 g/mol.
Where can I buy 6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine?
You can request a quote for 6-((3,5-Dimethylphenyl)thio)-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 6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine?
Yes, KEHONG BIO provides custom synthesis services for 6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.