5-({2-chloro-6-nitrophenyl}sulfanyl)-1-methyl-1H-tetraazole
TL;DR: 5-({2-chloro-6-nitrophenyl}sulfanyl)-1-methyl-1H-tetraazole (CAS 353256-76-5) is a chemical compound with molecular formula C8H6ClN5O2S and molecular weight 270.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chloro-6-nitrophenyl)sulfanyl-1-methyltetrazole
Also Known As: 5-({2-chloro-6-nitrophenyl}sulfanyl)-1-methyl-1H-tetraazole, 5-(2-chloro-6-nitrophenyl)sulfanyl-1-methyltetrazole, 5-[(2-chloro-6-nitrophenyl)thio]-1-methyltetrazole, AI-204/31687061, 5-[(2-chloro-6-nitro-phenyl)thio]-1-methyl-tetrazole
| Molecular Formula | C8H6ClN5O2S |
|---|---|
| Molecular Weight | 270.99 g/mol |
| LogP | 1.9229 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.99307 |
| Heavy Atoms | 17 |
| Complexity | 572.7932 |
Chemical Identifiers
| CAS Number | 353256-76-5 |
|---|---|
| SMILES | CN1C(=NN=N1)SC2=C(C=CC=C2Cl)[N+](=O)[O-] |
Product Overview
5-({2-chloro-6-nitrophenyl}sulfanyl)-1-methyl-1H-tetraazole (CAS 353256-76-5), with molecular formula C8H6ClN5O2S and molecular weight 270.99 g/mol. IUPAC: 5-(2-chloro-6-nitrophenyl)sulfanyl-1-methyltetrazole.
Chemical Property Profile of 5-({2-chloro-6-nitrophenyl}sulfanyl)-1-methyl-1H-tetraazole
Property Insights of 5-({2-chloro-6-nitrophenyl}sulfanyl)-1-methyl-1H-tetraazole
The XLogP value of 1.9229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-({2-chloro-6-nitrophenyl}sulfanyl)-1-methyl-1H-tetraazole. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-({2-chloro-6-nitrophenyl}sulfanyl)-1-methyl-1H-tetraazole. Following Lipinski's Rule of Five, 5-({2-chloro-6-nitrophenyl}sulfanyl)-1-methyl-1H-tetraazole 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 5-({2-chloro-6-nitrophenyl}sulfanyl)-1-methyl-1H-tetraazole?
The CAS number of 5-({2-chloro-6-nitrophenyl}sulfanyl)-1-methyl-1H-tetraazole is 353256-76-5.
What is the molecular formula of 5-({2-chloro-6-nitrophenyl}sulfanyl)-1-methyl-1H-tetraazole?
The molecular formula of 5-({2-chloro-6-nitrophenyl}sulfanyl)-1-methyl-1H-tetraazole is C8H6ClN5O2S.
What is the molecular weight of 5-({2-chloro-6-nitrophenyl}sulfanyl)-1-methyl-1H-tetraazole?
The molecular weight of 5-({2-chloro-6-nitrophenyl}sulfanyl)-1-methyl-1H-tetraazole is 270.99 g/mol.
Where can I buy 5-({2-chloro-6-nitrophenyl}sulfanyl)-1-methyl-1H-tetraazole?
You can request a quote for 5-({2-chloro-6-nitrophenyl}sulfanyl)-1-methyl-1H-tetraazole 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-nitrophenyl}sulfanyl)-1-methyl-1H-tetraazole?
Yes, KEHONG BIO provides custom synthesis services for 5-({2-chloro-6-nitrophenyl}sulfanyl)-1-methyl-1H-tetraazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.