![4-(3-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol structure](/static/products/7082/708294-32-0.webp)
4-(3-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol
TL;DR: 4-(3-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol (CAS 708294-32-0) is a chemical compound with molecular formula C12H14N4OS and molecular weight 262.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-prop-2-enoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione
Also Known As: BAS 07017394, 4-(3-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol, AP-970/42167619, 4-[(3-prop-2-enoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione, 4-{[3-(allyloxy)benzyl]amino}-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C12H14N4OS |
|---|---|
| Molecular Weight | 262.09 g/mol |
| LogP | 2.24919 |
| Topological Polar Surface Area | 54.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.08884 |
| Heavy Atoms | 18 |
| Complexity | 575.2064 |
Chemical Identifiers
| CAS Number | 708294-32-0 |
|---|---|
| SMILES | C=CCOC1=CC=CC(=C1)CNN2C=NNC2=S |
Product Overview
4-(3-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol (CAS 708294-32-0), with molecular formula C12H14N4OS and molecular weight 262.09 g/mol. IUPAC: 4-[(3-prop-2-enoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(3-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol
Property Insights of 4-(3-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol
The XLogP value of 2.24919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol. With a topological polar surface area (TPSA) of 54.87 Ų, 4-(3-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol has 2 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 4-(3-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol?
The CAS number of 4-(3-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol is 708294-32-0.
What is the molecular formula of 4-(3-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 4-(3-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol is C12H14N4OS.
What is the molecular weight of 4-(3-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 4-(3-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol is 262.09 g/mol.
Where can I buy 4-(3-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 4-(3-Allyloxy-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-(3-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Allyloxy-benzylamino)-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.