5-(5-Chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole
TL;DR: 5-(5-Chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole (CAS 433246-55-0) is a chemical compound with molecular formula C13H8ClN5O2S and molecular weight 333.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole
Also Known As: 5-(5-chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole, 5-[(5-chloro-2-nitrophenyl)sulfanyl]-1-phenyl-1H-tetrazole, 1h-tetrazole, 5-[(5-chloro-2-nitrophenyl)thio]-1-phenyl-
| Molecular Formula | C13H8ClN5O2S |
|---|---|
| Molecular Weight | 333.01 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.00873 |
| Heavy Atoms | 22 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 433246-55-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=CC(=C3)Cl)[N+](=O)[O-] |
| InChIKey | VMGJQYVOKYNSBV-UHFFFAOYSA-N |
Product Overview
5-(5-Chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole (CAS 433246-55-0), with molecular formula C13H8ClN5O2S and molecular weight 333.01 g/mol. IUPAC: 5-(5-chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole.
Chemical Property Profile of 5-(5-Chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole
Property Insights of 5-(5-Chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole
The XLogP value of 4.1 indicates that 5-(5-Chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(5-Chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole. Following Lipinski's Rule of Five, 5-(5-Chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole 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-(5-Chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole?
The CAS number of 5-(5-Chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole is 433246-55-0.
What is the molecular formula of 5-(5-Chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole?
The molecular formula of 5-(5-Chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole is C13H8ClN5O2S.
What is the molecular weight of 5-(5-Chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole?
The molecular weight of 5-(5-Chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole is 333.01 g/mol.
Where can I buy 5-(5-Chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole?
You can request a quote for 5-(5-Chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(5-Chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-Chloro-2-nitrophenyl)sulfanyl-1-phenyltetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.