Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl-
TL;DR: Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl- (CAS 311775-75-4) is a chemical compound with molecular formula C9H8F2N4S and molecular weight 242.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,6-difluorophenyl)methylsulfanyl]-1-methyltetrazole
Also Known As: Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl-, 5-[(2,6-difluorophenyl)methylsulfanyl]-1-methyltetrazole, 5-((2,6-difluorobenzyl)thio)-1-methyl-1H-tetrazole, 5-[(2,6-Difluorobenzyl)sulfanyl]-1-methyl-1H-tetraazole #
| Molecular Formula | C9H8F2N4S |
|---|---|
| Molecular Weight | 242.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.04378 |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 311775-75-4 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=C(C=CC=C2F)F |
| InChIKey | NJUQHCNCNLCKPX-UHFFFAOYSA-N |
Product Overview
Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl- (CAS 311775-75-4), with molecular formula C9H8F2N4S and molecular weight 242.04 g/mol. IUPAC: 5-[(2,6-difluorophenyl)methylsulfanyl]-1-methyltetrazole.
Chemical Property Profile of Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl-
Property Insights of Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl-. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl-. Following Lipinski's Rule of Five, Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl- has 0 hydrogen bond donor(s) and 6 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 Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl-?
The CAS number of Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl- is 311775-75-4.
What is the molecular formula of Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl-?
The molecular formula of Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl- is C9H8F2N4S.
What is the molecular weight of Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl-?
The molecular weight of Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl- is 242.04 g/mol.
Where can I buy Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl-?
You can request a quote for Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.