5-Benzylthio-1H-tetrazole
TL;DR: 5-Benzylthio-1H-tetrazole (CAS 22706-11-2) is a chemical compound with molecular formula C8H8N4S and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-2H-tetrazole
Also Known As: 5-Benzylthio-1H-tetrazole, 5-(Benzylthio)-1H-tetrazole, 5-benzylsulfanyl-2H-tetrazole, 5-[(Phenylmethyl)Thio]-1H-Tetrazole, 5-(Benzylthio)tetrazole
| Molecular Formula | C8H8N4S |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.04697 |
| Heavy Atoms | 13 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 22706-11-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NNN=N2 |
| InChIKey | GXGKKIPUFAHZIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Benzylthio-1H-tetrazole (CAS 22706-11-2), with molecular formula C8H8N4S and molecular weight 192.05 g/mol. IUPAC: 5-benzylsulfanyl-2H-tetrazole.
Chemical Property Profile of 5-Benzylthio-1H-tetrazole
Property Insights of 5-Benzylthio-1H-tetrazole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzylthio-1H-tetrazole. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzylthio-1H-tetrazole. Following Lipinski's Rule of Five, 5-Benzylthio-1H-tetrazole has 1 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-Benzylthio-1H-tetrazole?
The CAS number of 5-Benzylthio-1H-tetrazole is 22706-11-2.
What is the molecular formula of 5-Benzylthio-1H-tetrazole?
The molecular formula of 5-Benzylthio-1H-tetrazole is C8H8N4S.
What is the molecular weight of 5-Benzylthio-1H-tetrazole?
The molecular weight of 5-Benzylthio-1H-tetrazole is 192.05 g/mol.
Where can I buy 5-Benzylthio-1H-tetrazole?
You can request a quote for 5-Benzylthio-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-Benzylthio-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzylthio-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.