5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole
TL;DR: 5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole (CAS 3206-48-2) is a chemical compound with molecular formula C14H12N4S and molecular weight 268.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-1-phenyltetrazole
Also Known As: ChemDiv3_000067, 5-benzylsulfanyl-1-phenyltetrazole, 5-(benzylthio)-1-phenyl-1H-tetrazole, BI-83B3, 1-phenyl-5-benzylsulfanyltetrazole
| Molecular Formula | C14H12N4S |
|---|---|
| Molecular Weight | 268.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.07828 |
| Heavy Atoms | 19 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 3206-48-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=NN2C3=CC=CC=C3 |
| InChIKey | YGJVZCBHFFYTPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole (CAS 3206-48-2), with molecular formula C14H12N4S and molecular weight 268.08 g/mol. IUPAC: 5-benzylsulfanyl-1-phenyltetrazole.
Chemical Property Profile of 5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole
Property Insights of 5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole
The XLogP value of 3.3 indicates that 5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-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 5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole. Following Lipinski's Rule of Five, 5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-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 5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole?
The CAS number of 5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole is 3206-48-2.
What is the molecular formula of 5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole?
The molecular formula of 5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole is C14H12N4S.
What is the molecular weight of 5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole?
The molecular weight of 5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole is 268.08 g/mol.
Where can I buy 5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole?
You can request a quote for 5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.