3-methyl-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione
TL;DR: 3-methyl-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione (CAS 33682-80-3) is a chemical compound with molecular formula C4H6N2S3 and molecular weight 177.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-methylsulfanyl-1,3,4-thiadiazole-2-thione
Also Known As: J2.849.393B, 3-methyl-5-methylsulfanyl-1,3,4-thiadiazole-2-thione, 3-methyl-5-methylsulfanyl-3h-[1,3,4]thiadiazole-2-thione, 4-methyl-2-methylthio-4,5-dihydro-1,3,4-thiadiazole-5-thione, 3-Methyl-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione
| Molecular Formula | C4H6N2S3 |
|---|---|
| Molecular Weight | 177.97 g/mol |
| LogP | 1.93299 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.96931 |
| Heavy Atoms | 9 |
| Complexity | 248.56058 |
Chemical Identifiers
| CAS Number | 33682-80-3 |
|---|---|
| SMILES | CN1C(=S)SC(=N1)SC |
Product Overview
3-methyl-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione (CAS 33682-80-3), with molecular formula C4H6N2S3 and molecular weight 177.97 g/mol. IUPAC: 3-methyl-5-methylsulfanyl-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 3-methyl-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione
Property Insights of 3-methyl-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione
The XLogP value of 1.93299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione. With a topological polar surface area (TPSA) of 17.82 Ų, 3-methyl-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione has 0 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-methyl-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione?
The CAS number of 3-methyl-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione is 33682-80-3.
What is the molecular formula of 3-methyl-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione?
The molecular formula of 3-methyl-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione is C4H6N2S3.
What is the molecular weight of 3-methyl-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione?
The molecular weight of 3-methyl-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione is 177.97 g/mol.
Where can I buy 3-methyl-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione?
You can request a quote for 3-methyl-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-5-(methylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.