5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)-
TL;DR: 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)- (CAS 14003-22-6) 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-(4-methoxyphenyl)-2H-tetrazole-5-thione
Also Known As: 1-(4-methoxyphenyl)-1H-tetrazole-5-thiol, 5-Mercapto-1-(4-methoxyphenyl)-1H-tetrazole, 1-(4-methoxyphenyl)-2H-tetrazole-5-thione, 1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazole-5-thiol, 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)-
| Molecular Formula | C8H8N4OS |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.04189 |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 14003-22-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=S)N=NN2 |
| InChIKey | UFALKIBIWOKBDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)- (CAS 14003-22-6), with molecular formula C8H8N4OS and molecular weight 208.04 g/mol. IUPAC: 1-(4-methoxyphenyl)-2H-tetrazole-5-thione.
Chemical Property Profile of 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)-
Property Insights of 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)-. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)-. Following Lipinski's Rule of Five, 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)- 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 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)-?
The CAS number of 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)- is 14003-22-6.
What is the molecular formula of 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)-?
The molecular formula of 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)- is C8H8N4OS.
What is the molecular weight of 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)-?
The molecular weight of 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)- is 208.04 g/mol.
Where can I buy 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)-?
You can request a quote for 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.