![4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione structure](/static/products/498/498571-84-9.png)
4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione (CAS 498571-84-9) is a chemical compound with molecular formula C17H18N4OS and molecular weight 326.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione, (E)-4-((4-(tert-butyl)benzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol, 4-((4-TERT-BUTYLBENZYLIDENE)AMINO)-5-(2-FURYL)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-{(1E)-2-[4-(tert-butyl)phenyl]-1-azavinyl}-5-(2-furyl)-1,2,4-triazole-3-thio l, 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(furan-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C17H18N4OS |
|---|---|
| Molecular Weight | 326.12 g/mol |
| LogP | 4.38039 |
| Topological Polar Surface Area | 59.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.12012 |
| Heavy Atoms | 23 |
| Complexity | 864.7068 |
Chemical Identifiers
| CAS Number | 498571-84-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CO3 |
Product Overview
4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione (CAS 498571-84-9), with molecular formula C17H18N4OS and molecular weight 326.12 g/mol. IUPAC: 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
The XLogP value of 4.38039 indicates that 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-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, 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione has 1 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-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione is 498571-84-9.
What is the molecular formula of 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione is C17H18N4OS.
What is the molecular weight of 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione is 326.12 g/mol.
Where can I buy 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-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 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.