![3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione structure](/static/products/613/613230-77-6.png)
3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
TL;DR: 3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione (CAS 613230-77-6) is a chemical compound with molecular formula C20H22N4OS and molecular weight 366.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione, 4-((1E,3E)-4-(2-furyl)-3-methyl-1-azabuta-1,3-dienyl)-5-[4-(tert-butyl)phenyl] -1,2,4-triazole-3-thiol, 5-(4-(tert-butyl)phenyl)-4-((E)-((E)-3-(furan-2-yl)-2-methylallylidene)amino)-4H-1,2,4-triazole-3-thiol, 5-(4-tert-butylphenyl)-4-{[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C20H22N4OS |
|---|---|
| Molecular Weight | 366.15 g/mol |
| LogP | 5.43559 |
| Topological Polar Surface Area | 59.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.15143 |
| Heavy Atoms | 26 |
| Complexity | 983.85834 |
Chemical Identifiers
| CAS Number | 613230-77-6 |
|---|---|
| SMILES | C/C(=C\C1=CC=CO1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione (CAS 613230-77-6), with molecular formula C20H22N4OS and molecular weight 366.15 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
Property Insights of 3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
The XLogP value of 5.43559 indicates that 3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.11 Ų, 3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione is 613230-77-6.
What is the molecular formula of 3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione is C20H22N4OS.
What is the molecular weight of 3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione is 366.15 g/mol.
Where can I buy 3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-tert-butylphenyl)-4-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.