5-(4-Chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole
TL;DR: 5-(4-Chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole (CAS 667901-20-4) is a chemical compound with molecular formula C9H7ClN4O2S and molecular weight 270.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole
Also Known As: 5-(4-chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole, AP-853/41543818, 5-((4-chlorophenyl)thio)-1-methyl-3-nitro-1H-1,2,4-triazole, 5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-nitro-1H-1,2,4-triazole, 5-[(4-chlorophenyl)sulfanyl]-3-nitro-1-methyl-1H-1,2,4-triazole
| Molecular Formula | C9H7ClN4O2S |
|---|---|
| Molecular Weight | 270.00 g/mol |
| LogP | 2.5279 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.99783 |
| Heavy Atoms | 17 |
| Complexity | 554.62354 |
Chemical Identifiers
| CAS Number | 667901-20-4 |
|---|---|
| SMILES | CN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl |
Product Overview
5-(4-Chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole (CAS 667901-20-4), with molecular formula C9H7ClN4O2S and molecular weight 270.00 g/mol. IUPAC: 5-(4-chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole.
Chemical Property Profile of 5-(4-Chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole
Property Insights of 5-(4-Chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole
The XLogP value of 2.5279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole. Following Lipinski's Rule of Five, 5-(4-Chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole 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-(4-Chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole?
The CAS number of 5-(4-Chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole is 667901-20-4.
What is the molecular formula of 5-(4-Chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole?
The molecular formula of 5-(4-Chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole is C9H7ClN4O2S.
What is the molecular weight of 5-(4-Chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole?
The molecular weight of 5-(4-Chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole is 270.00 g/mol.
Where can I buy 5-(4-Chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole?
You can request a quote for 5-(4-Chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorophenyl)sulfanyl-1-methyl-3-nitro-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.