5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 57295-83-7) is a chemical compound with molecular formula C10H11N3OS and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol, 3-(4-methoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione, BAS 02255286, 5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thiol, 5-(4-Methoxy-phenyl)-4-methyl-2,4-dihydro-[1,2,4]t
| Molecular Formula | C10H11N3OS |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.06229 |
| Heavy Atoms | 15 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 57295-83-7 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=CC=C(C=C2)OC |
| InChIKey | GYQUBNVSGYWROW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 57295-83-7), with molecular formula C10H11N3OS and molecular weight 221.06 g/mol. IUPAC: 3-(4-methoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 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-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol is 57295-83-7.
What is the molecular formula of 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol is C10H11N3OS.
What is the molecular weight of 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol is 221.06 g/mol.
Where can I buy 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.