2-Thiothymine
TL;DR: 2-Thiothymine (CAS 53159-71-0) is a chemical compound with molecular formula C5H6N2OS and molecular weight 142.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-METHYL-2-THIOURACIL, Thiothymine, 2-Thiothymine, Thymine, 2-thio-, 4-Hydroxy-5-methyl-2-mercaptopyrimidine
| Molecular Formula | C5H6N2OS |
|---|---|
| Molecular Weight | 142.02 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.02008 |
| Heavy Atoms | 9 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 53159-71-0 |
|---|---|
| SMILES | CC1=CNC(=S)NC1=O |
| InChIKey | ZLAQATDNGLKIEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Thiothymine (CAS 53159-71-0), with molecular formula C5H6N2OS and molecular weight 142.02 g/mol. IUPAC: 5-methyl-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 2-Thiothymine
Property Insights of 2-Thiothymine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiothymine. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiothymine. Following Lipinski's Rule of Five, 2-Thiothymine has 2 hydrogen bond donor(s) and 2 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 2-Thiothymine?
The CAS number of 2-Thiothymine is 53159-71-0.
What is the molecular formula of 2-Thiothymine?
The molecular formula of 2-Thiothymine is C5H6N2OS.
What is the molecular weight of 2-Thiothymine?
The molecular weight of 2-Thiothymine is 142.02 g/mol.
Where can I buy 2-Thiothymine?
You can request a quote for 2-Thiothymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiothymine?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiothymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.