3-Methyl-5-methylsulfonyl-1,2,4-thiadiazole
TL;DR: 3-Methyl-5-methylsulfonyl-1,2,4-thiadiazole (CAS 37864-85-0) is a chemical compound with molecular formula C4H6N2O2S2 and molecular weight 177.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-methylsulfonyl-1,2,4-thiadiazole
Also Known As: 3-methyl-5-methylsulfonyl-1,2,4-thiadiazole, 3-methyl-5-(methylsulfonyl)-1,2,4-thiadiazole, 1,2,4-Thiadiazole, 3-methyl-5-(methylsulfonyl)-, 5-(Methanesulfonyl)-3-methyl-1,2,4-thiadiazole
| Molecular Formula | C4H6N2O2S2 |
|---|---|
| Molecular Weight | 177.99 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.98708 |
| Heavy Atoms | 10 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 37864-85-0 |
|---|---|
| SMILES | CC1=NSC(=N1)S(=O)(=O)C |
| InChIKey | VCYNNXYLNYDHMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-5-methylsulfonyl-1,2,4-thiadiazole (CAS 37864-85-0), with molecular formula C4H6N2O2S2 and molecular weight 177.99 g/mol. IUPAC: 3-methyl-5-methylsulfonyl-1,2,4-thiadiazole.
Chemical Property Profile of 3-Methyl-5-methylsulfonyl-1,2,4-thiadiazole
Property Insights of 3-Methyl-5-methylsulfonyl-1,2,4-thiadiazole
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-methylsulfonyl-1,2,4-thiadiazole. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-5-methylsulfonyl-1,2,4-thiadiazole. Following Lipinski's Rule of Five, 3-Methyl-5-methylsulfonyl-1,2,4-thiadiazole has 0 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 3-Methyl-5-methylsulfonyl-1,2,4-thiadiazole?
The CAS number of 3-Methyl-5-methylsulfonyl-1,2,4-thiadiazole is 37864-85-0.
What is the molecular formula of 3-Methyl-5-methylsulfonyl-1,2,4-thiadiazole?
The molecular formula of 3-Methyl-5-methylsulfonyl-1,2,4-thiadiazole is C4H6N2O2S2.
What is the molecular weight of 3-Methyl-5-methylsulfonyl-1,2,4-thiadiazole?
The molecular weight of 3-Methyl-5-methylsulfonyl-1,2,4-thiadiazole is 177.99 g/mol.
Where can I buy 3-Methyl-5-methylsulfonyl-1,2,4-thiadiazole?
You can request a quote for 3-Methyl-5-methylsulfonyl-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-Methyl-5-methylsulfonyl-1,2,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-methylsulfonyl-1,2,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.