3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thiol
TL;DR: 3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thiol (CAS 1485-72-9) is a chemical compound with molecular formula C11H13N3O3S and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4,5-trimethoxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: BAS 05331744, 3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thiol, 5-(3,4,5-trimethoxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione, 1H-1,2,4-triazole-5-thiol, 3-(3,4,5-trimethoxyphenyl)-, 3-(3,4,5-trimethoxyphenyl)-4H-5-mercapto-1,2,4-triazole
| Molecular Formula | C11H13N3O3S |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 2.16009 |
| Topological Polar Surface Area | 72.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.06775 |
| Heavy Atoms | 18 |
| Complexity | 580.57117 |
Chemical Identifiers
| CAS Number | 1485-72-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NC(=S)NN2 |
Product Overview
3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thiol (CAS 1485-72-9), with molecular formula C11H13N3O3S and molecular weight 267.07 g/mol. IUPAC: 5-(3,4,5-trimethoxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thiol
Property Insights of 3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thiol
The XLogP value of 2.16009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thiol. The TPSA of 72.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thiol. Following Lipinski's Rule of Five, 3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thiol has 2 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 3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thiol?
The CAS number of 3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thiol is 1485-72-9.
What is the molecular formula of 3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thiol?
The molecular formula of 3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thiol is C11H13N3O3S.
What is the molecular weight of 3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thiol?
The molecular weight of 3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thiol is 267.07 g/mol.
Where can I buy 3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thiol?
You can request a quote for 3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.