3-Methylmercapto-5-mercapto-1,2,4-thiadiazole
TL;DR: 3-Methylmercapto-5-mercapto-1,2,4-thiadiazole (CAS 20069-40-3) is a chemical compound with molecular formula C3H4N2S3 and molecular weight 163.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-2H-1,2,4-thiadiazole-5-thione
Also Known As: 3-Methylmercapto-5-mercapto-1,2,4-thiadiazole, 3-(Methylthio)-1,2,4-thiadiazole-5-thiol, 3-methylsulfanyl-2H-1,2,4-thiadiazole-5-thione, 3-methylthio-[1,2,4]thiadiazole-5-thiol, 3-methylthio-1,2,4-thiadiazole-5-thiol
| Molecular Formula | C3H4N2S3 |
|---|---|
| Molecular Weight | 163.95 g/mol |
| LogP | 1.92259 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.95366 |
| Heavy Atoms | 8 |
| Complexity | 212.30315 |
Chemical Identifiers
| CAS Number | 20069-40-3 |
|---|---|
| SMILES | CSC1=NC(=S)SN1 |
Product Overview
3-Methylmercapto-5-mercapto-1,2,4-thiadiazole (CAS 20069-40-3), with molecular formula C3H4N2S3 and molecular weight 163.95 g/mol. IUPAC: 3-methylsulfanyl-2H-1,2,4-thiadiazole-5-thione.
Chemical Property Profile of 3-Methylmercapto-5-mercapto-1,2,4-thiadiazole
Property Insights of 3-Methylmercapto-5-mercapto-1,2,4-thiadiazole
The XLogP value of 1.92259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylmercapto-5-mercapto-1,2,4-thiadiazole. With a topological polar surface area (TPSA) of 28.68 Ų, 3-Methylmercapto-5-mercapto-1,2,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylmercapto-5-mercapto-1,2,4-thiadiazole has 1 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 3-Methylmercapto-5-mercapto-1,2,4-thiadiazole?
The CAS number of 3-Methylmercapto-5-mercapto-1,2,4-thiadiazole is 20069-40-3.
What is the molecular formula of 3-Methylmercapto-5-mercapto-1,2,4-thiadiazole?
The molecular formula of 3-Methylmercapto-5-mercapto-1,2,4-thiadiazole is C3H4N2S3.
What is the molecular weight of 3-Methylmercapto-5-mercapto-1,2,4-thiadiazole?
The molecular weight of 3-Methylmercapto-5-mercapto-1,2,4-thiadiazole is 163.95 g/mol.
Where can I buy 3-Methylmercapto-5-mercapto-1,2,4-thiadiazole?
You can request a quote for 3-Methylmercapto-5-mercapto-1,2,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylmercapto-5-mercapto-1,2,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylmercapto-5-mercapto-1,2,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.