4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 842977-05-3) is a chemical compound with molecular formula C12H15N3O3S and molecular weight 281.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 9649AE, BAS 15425037, Y-0936, 4-methyl-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C12H15N3O3S |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 2.17049 |
| Topological Polar Surface Area | 61.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.0834 |
| Heavy Atoms | 19 |
| Complexity | 622.90454 |
Chemical Identifiers
| CAS Number | 842977-05-3 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 842977-05-3), with molecular formula C12H15N3O3S and molecular weight 281.08 g/mol. IUPAC: 4-methyl-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.17049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 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 4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 842977-05-3.
What is the molecular formula of 4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is C12H15N3O3S.
What is the molecular weight of 4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 281.08 g/mol.
Where can I buy 4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-methyl-5-(3,4,5-trimethoxyphenyl)-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 4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.