![5-[(2-chloro-6-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole structure](/static/products/6932/693231-65-1.webp)
5-[(2-chloro-6-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole
TL;DR: 5-[(2-chloro-6-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole (CAS 693231-65-1) is a chemical compound with molecular formula C14H10ClN5O2S and molecular weight 347.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1-phenyltetrazole
Also Known As: 5-[(2-chloro-6-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole, 5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1-phenyltetrazole
| Molecular Formula | C14H10ClN5O2S |
|---|---|
| Molecular Weight | 347.02 g/mol |
| LogP | 3.5162 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.02438 |
| Heavy Atoms | 23 |
| Complexity | 840.19385 |
Chemical Identifiers
| CAS Number | 693231-65-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC3=C(C=CC=C3Cl)[N+](=O)[O-] |
Product Overview
5-[(2-chloro-6-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole (CAS 693231-65-1), with molecular formula C14H10ClN5O2S and molecular weight 347.02 g/mol. IUPAC: 5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1-phenyltetrazole.
Chemical Property Profile of 5-[(2-chloro-6-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole
Property Insights of 5-[(2-chloro-6-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole
The XLogP value of 3.5162 indicates that 5-[(2-chloro-6-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(2-chloro-6-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole. Following Lipinski's Rule of Five, 5-[(2-chloro-6-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole 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-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole?
The CAS number of 5-[(2-chloro-6-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole is 693231-65-1.
What is the molecular formula of 5-[(2-chloro-6-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole?
The molecular formula of 5-[(2-chloro-6-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole is C14H10ClN5O2S.
What is the molecular weight of 5-[(2-chloro-6-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole?
The molecular weight of 5-[(2-chloro-6-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole is 347.02 g/mol.
Where can I buy 5-[(2-chloro-6-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole?
You can request a quote for 5-[(2-chloro-6-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole 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-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-chloro-6-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.