![5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole structure](/static/products/7123/712300-07-7.webp)
5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole
TL;DR: 5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole (CAS 712300-07-7) is a chemical compound with molecular formula C9H8ClFN4S and molecular weight 258.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole
Also Known As: 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole, 5-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-methyl-1H-tetrazole, 5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1-methyl-tetrazole, 5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-1-METHYL-1H-TETRAAZOLE, 5-[(6-chloro-2-fluorophenyl)methylthio]-1-methyl-1,2,3,4-tetraazole
| Molecular Formula | C9H8ClFN4S |
|---|---|
| Molecular Weight | 258.01 g/mol |
| LogP | 2.2949 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.01422 |
| Heavy Atoms | 16 |
| Complexity | 481.75424 |
Chemical Identifiers
| CAS Number | 712300-07-7 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=C(C=CC=C2Cl)F |
Product Overview
5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole (CAS 712300-07-7), with molecular formula C9H8ClFN4S and molecular weight 258.01 g/mol. IUPAC: 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole.
Chemical Property Profile of 5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole
Property Insights of 5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole
The XLogP value of 2.2949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole. With a topological polar surface area (TPSA) of 43.6 Ų, 5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole 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 5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole?
The CAS number of 5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole is 712300-07-7.
What is the molecular formula of 5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole?
The molecular formula of 5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole is C9H8ClFN4S.
What is the molecular weight of 5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole?
The molecular weight of 5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole is 258.01 g/mol.
Where can I buy 5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole?
You can request a quote for 5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-1-methyltetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.