5-(Tert-butylsulfonyl)-4-methyl-1,2,3-thiadiazole
TL;DR: 5-(Tert-butylsulfonyl)-4-methyl-1,2,3-thiadiazole (CAS 338408-72-3) is a chemical compound with molecular formula C7H12N2O2S2 and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butylsulfonyl-4-methylthiadiazole
Also Known As: 5-tert-butylsulfonyl-4-methylthiadiazole, 3G-454S, 5-(tert-butylsulfonyl)-4-methyl-1,2,3-thiadiazole, 4-methyl-5-(2-methylpropane-2-sulfonyl)-1,2,3-thiadiazole
| Molecular Formula | C7H12N2O2S2 |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 1.41872 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.03403 |
| Heavy Atoms | 13 |
| Complexity | 400.3722 |
Chemical Identifiers
| CAS Number | 338408-72-3 |
|---|---|
| SMILES | CC1=C(SN=N1)S(=O)(=O)C(C)(C)C |
Product Overview
5-(Tert-butylsulfonyl)-4-methyl-1,2,3-thiadiazole (CAS 338408-72-3), with molecular formula C7H12N2O2S2 and molecular weight 220.03 g/mol. IUPAC: 5-tert-butylsulfonyl-4-methylthiadiazole.
Chemical Property Profile of 5-(Tert-butylsulfonyl)-4-methyl-1,2,3-thiadiazole
Property Insights of 5-(Tert-butylsulfonyl)-4-methyl-1,2,3-thiadiazole
The XLogP value of 1.41872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Tert-butylsulfonyl)-4-methyl-1,2,3-thiadiazole. With a topological polar surface area (TPSA) of 59.92 Ų, 5-(Tert-butylsulfonyl)-4-methyl-1,2,3-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Tert-butylsulfonyl)-4-methyl-1,2,3-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 5-(Tert-butylsulfonyl)-4-methyl-1,2,3-thiadiazole?
The CAS number of 5-(Tert-butylsulfonyl)-4-methyl-1,2,3-thiadiazole is 338408-72-3.
What is the molecular formula of 5-(Tert-butylsulfonyl)-4-methyl-1,2,3-thiadiazole?
The molecular formula of 5-(Tert-butylsulfonyl)-4-methyl-1,2,3-thiadiazole is C7H12N2O2S2.
What is the molecular weight of 5-(Tert-butylsulfonyl)-4-methyl-1,2,3-thiadiazole?
The molecular weight of 5-(Tert-butylsulfonyl)-4-methyl-1,2,3-thiadiazole is 220.03 g/mol.
Where can I buy 5-(Tert-butylsulfonyl)-4-methyl-1,2,3-thiadiazole?
You can request a quote for 5-(Tert-butylsulfonyl)-4-methyl-1,2,3-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Tert-butylsulfonyl)-4-methyl-1,2,3-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Tert-butylsulfonyl)-4-methyl-1,2,3-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.