1-Phenyl-5-(4-chlorobenzylthio)-1H-tetrazole
TL;DR: 1-Phenyl-5-(4-chlorobenzylthio)-1H-tetrazole (CAS 311316-67-3) is a chemical compound with molecular formula C14H11ClN4S and molecular weight 302.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methylsulfanyl]-1-phenyltetrazole
Also Known As: 1-Phenyl-5-(4-chlorobenzylthio)-1H-tetrazole, BAS 02562036, BIM-0021825.P001, J3.490.961J, 5-[(4-chlorobenzyl)sulfanyl]-1-phenyl-1H-tetraazole
| Molecular Formula | C14H11ClN4S |
|---|---|
| Molecular Weight | 302.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.0393 |
| Heavy Atoms | 20 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 311316-67-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)Cl |
| InChIKey | WSKQXCMJGIHFBB-UHFFFAOYSA-N |
Product Overview
1-Phenyl-5-(4-chlorobenzylthio)-1H-tetrazole (CAS 311316-67-3), with molecular formula C14H11ClN4S and molecular weight 302.04 g/mol. IUPAC: 5-[(4-chlorophenyl)methylsulfanyl]-1-phenyltetrazole.
Chemical Property Profile of 1-Phenyl-5-(4-chlorobenzylthio)-1H-tetrazole
Property Insights of 1-Phenyl-5-(4-chlorobenzylthio)-1H-tetrazole
The XLogP value of 3.9 indicates that 1-Phenyl-5-(4-chlorobenzylthio)-1H-tetrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-5-(4-chlorobenzylthio)-1H-tetrazole. Following Lipinski's Rule of Five, 1-Phenyl-5-(4-chlorobenzylthio)-1H-tetrazole 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 1-Phenyl-5-(4-chlorobenzylthio)-1H-tetrazole?
The CAS number of 1-Phenyl-5-(4-chlorobenzylthio)-1H-tetrazole is 311316-67-3.
What is the molecular formula of 1-Phenyl-5-(4-chlorobenzylthio)-1H-tetrazole?
The molecular formula of 1-Phenyl-5-(4-chlorobenzylthio)-1H-tetrazole is C14H11ClN4S.
What is the molecular weight of 1-Phenyl-5-(4-chlorobenzylthio)-1H-tetrazole?
The molecular weight of 1-Phenyl-5-(4-chlorobenzylthio)-1H-tetrazole is 302.04 g/mol.
Where can I buy 1-Phenyl-5-(4-chlorobenzylthio)-1H-tetrazole?
You can request a quote for 1-Phenyl-5-(4-chlorobenzylthio)-1H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-5-(4-chlorobenzylthio)-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-5-(4-chlorobenzylthio)-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.