1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)-
TL;DR: 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)- (CAS 27603-25-4) is a chemical compound with molecular formula C4H3F3N2O2S2 and molecular weight 231.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole
Also Known As: 2-(Methylsulfonyl)-5-(trifluoromethyl)-1,3,4-thiadiazole, 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)-, 2-methylsulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole, ACN-S004837, EC 809-978-0
| Molecular Formula | C4H3F3N2O2S2 |
|---|---|
| Molecular Weight | 231.96 g/mol |
| LogP | 0.9604 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.9588 |
| Heavy Atoms | 13 |
| Complexity | 407.2688 |
Chemical Identifiers
| CAS Number | 27603-25-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=NN=C(S1)C(F)(F)F |
Product Overview
1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)- (CAS 27603-25-4), with molecular formula C4H3F3N2O2S2 and molecular weight 231.96 g/mol. IUPAC: 2-methylsulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole.
Chemical Property Profile of 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)-
Property Insights of 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)-
The XLogP value of 0.9604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 59.92 Ų, 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)- 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 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)-?
The CAS number of 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)- is 27603-25-4.
What is the molecular formula of 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)-?
The molecular formula of 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)- is C4H3F3N2O2S2.
What is the molecular weight of 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)-?
The molecular weight of 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)- is 231.96 g/mol.
Where can I buy 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)-?
You can request a quote for 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.