1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol
TL;DR: 1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol (CAS 379726-45-1) is a chemical compound with molecular formula C9H10N4OS and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methoxy-5-methylphenyl)-2H-tetrazole-5-thione
Also Known As: 1-(2-Methoxy-5-methyl-phenyl)-1H-tetrazole-5-thiol, 1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol, 1-(2-methoxy-5-methylphenyl)-2H-tetrazole-5-thione, 1-(2-methoxy-5-methyl-phenyl)-2H-tetrazole-5-thione, 1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetraazole-5-thiol
| Molecular Formula | C9H10N4OS |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 1.64191 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.05753 |
| Heavy Atoms | 15 |
| Complexity | 530.90375 |
Chemical Identifiers
| CAS Number | 379726-45-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)N2C(=S)N=NN2 |
Product Overview
1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol (CAS 379726-45-1), with molecular formula C9H10N4OS and molecular weight 222.06 g/mol. IUPAC: 1-(2-methoxy-5-methylphenyl)-2H-tetrazole-5-thione.
Chemical Property Profile of 1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol
Property Insights of 1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol
The XLogP value of 1.64191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol. With a topological polar surface area (TPSA) of 55.73 Ų, 1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol 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-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol?
The CAS number of 1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol is 379726-45-1.
What is the molecular formula of 1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol?
The molecular formula of 1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol is C9H10N4OS.
What is the molecular weight of 1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol?
The molecular weight of 1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol is 222.06 g/mol.
Where can I buy 1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol?
You can request a quote for 1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-methoxy-5-methylphenyl)-1H-1,2,3,4-tetrazole-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.