1-(3-Methoxyphenyl)-5-mercaptotetrazole
TL;DR: 1-(3-Methoxyphenyl)-5-mercaptotetrazole (CAS 53662-43-4) is a chemical compound with molecular formula C8H8N4OS and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methoxyphenyl)-2H-tetrazole-5-thione
Also Known As: 1-(3-Methoxyphenyl)-5-mercaptotetrazole, 1-(3-methoxyphenyl)-2H-tetrazole-5-thione, 1-(3-methoxyphenyl)tetrazole-5-thiol, 1-(3-methoxyphenyl)-1H-tetrazole-5-thiol, 5H-Tetrazole-5-thione, 1,2-dihydro-1-(3-methoxyphenyl)-
| Molecular Formula | C8H8N4OS |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 1.33349 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.04189 |
| Heavy Atoms | 14 |
| Complexity | 489.83655 |
Chemical Identifiers
| CAS Number | 53662-43-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=S)N=NN2 |
Product Overview
1-(3-Methoxyphenyl)-5-mercaptotetrazole (CAS 53662-43-4), with molecular formula C8H8N4OS and molecular weight 208.04 g/mol. IUPAC: 1-(3-methoxyphenyl)-2H-tetrazole-5-thione.
Chemical Property Profile of 1-(3-Methoxyphenyl)-5-mercaptotetrazole
Property Insights of 1-(3-Methoxyphenyl)-5-mercaptotetrazole
The XLogP value of 1.33349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methoxyphenyl)-5-mercaptotetrazole. With a topological polar surface area (TPSA) of 55.73 Ų, 1-(3-Methoxyphenyl)-5-mercaptotetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methoxyphenyl)-5-mercaptotetrazole 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 1-(3-Methoxyphenyl)-5-mercaptotetrazole?
The CAS number of 1-(3-Methoxyphenyl)-5-mercaptotetrazole is 53662-43-4.
What is the molecular formula of 1-(3-Methoxyphenyl)-5-mercaptotetrazole?
The molecular formula of 1-(3-Methoxyphenyl)-5-mercaptotetrazole is C8H8N4OS.
What is the molecular weight of 1-(3-Methoxyphenyl)-5-mercaptotetrazole?
The molecular weight of 1-(3-Methoxyphenyl)-5-mercaptotetrazole is 208.04 g/mol.
Where can I buy 1-(3-Methoxyphenyl)-5-mercaptotetrazole?
You can request a quote for 1-(3-Methoxyphenyl)-5-mercaptotetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methoxyphenyl)-5-mercaptotetrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methoxyphenyl)-5-mercaptotetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.