![4-(4-Allyloxy-3-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol structure](/static/products/7089/708998-06-5.webp)
4-(4-Allyloxy-3-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol
TL;DR: 4-(4-Allyloxy-3-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol (CAS 708998-06-5) is a chemical compound with molecular formula C13H16N4O2S and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-methoxy-4-prop-2-enoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione
Also Known As: BAS 07017395, 4-(4-Allyloxy-3-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol, AP-970/42167620, 4-[(3-methoxy-4-prop-2-enoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione, 4-{[4-(allyloxy)-3-methoxybenzyl]amino}-4H-1,2,4-triazol-3-ylhydrosulfide
| Molecular Formula | C13H16N4O2S |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 2.25779 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.0994 |
| Heavy Atoms | 20 |
| Complexity | 635.2966 |
Chemical Identifiers
| CAS Number | 708998-06-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CNN2C=NNC2=S)OCC=C |
Product Overview
4-(4-Allyloxy-3-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol (CAS 708998-06-5), with molecular formula C13H16N4O2S and molecular weight 292.10 g/mol. IUPAC: 4-[(3-methoxy-4-prop-2-enoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(4-Allyloxy-3-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol
Property Insights of 4-(4-Allyloxy-3-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol
The XLogP value of 2.25779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Allyloxy-3-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Allyloxy-3-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol. Following Lipinski's Rule of Five, 4-(4-Allyloxy-3-methoxy-benzylamino)-4H-[1,2,4]triazole-3-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 4-(4-Allyloxy-3-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol?
The CAS number of 4-(4-Allyloxy-3-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol is 708998-06-5.
What is the molecular formula of 4-(4-Allyloxy-3-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 4-(4-Allyloxy-3-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol is C13H16N4O2S.
What is the molecular weight of 4-(4-Allyloxy-3-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 4-(4-Allyloxy-3-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol is 292.10 g/mol.
Where can I buy 4-(4-Allyloxy-3-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 4-(4-Allyloxy-3-methoxy-benzylamino)-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-(4-Allyloxy-3-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Allyloxy-3-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.