6-Aza-2-thiothymine
TL;DR: 6-Aza-2-thiothymine (CAS 7338-83-2) is a chemical compound with molecular formula C4H5N3OS and molecular weight 143.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
Also Known As: 6-Aza-2-thiothymine, 2-Thio-6-azathymine, 6-Azathiothymine, UREAPHOSPHATE, 6-Methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
| Molecular Formula | C4H5N3OS |
|---|---|
| Molecular Weight | 143.02 g/mol |
| LogP | 0.13591 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.01534 |
| Heavy Atoms | 9 |
| Complexity | 312.07904 |
Chemical Identifiers
| CAS Number | 7338-83-2 |
|---|---|
| SMILES | CC1=NNC(=S)NC1=O |
Product Overview
6-Aza-2-thiothymine (CAS 7338-83-2), with molecular formula C4H5N3OS and molecular weight 143.02 g/mol. IUPAC: 6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one.
Chemical Property Profile of 6-Aza-2-thiothymine
Property Insights of 6-Aza-2-thiothymine
The XLogP value of 0.13591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Aza-2-thiothymine. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Aza-2-thiothymine. Following Lipinski's Rule of Five, 6-Aza-2-thiothymine has 2 hydrogen bond donor(s) and 3 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-Aza-2-thiothymine?
The CAS number of 6-Aza-2-thiothymine is 7338-83-2.
What is the molecular formula of 6-Aza-2-thiothymine?
The molecular formula of 6-Aza-2-thiothymine is C4H5N3OS.
What is the molecular weight of 6-Aza-2-thiothymine?
The molecular weight of 6-Aza-2-thiothymine is 143.02 g/mol.
Where can I buy 6-Aza-2-thiothymine?
You can request a quote for 6-Aza-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-Aza-2-thiothymine?
Yes, KEHONG BIO provides custom synthesis services for 6-Aza-2-thiothymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.