(E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 577997-53-6) is a chemical compound with molecular formula C19H20N4OS2 and molecular weight 384.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-methylsulfanylphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol, 4-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-[(1E)-2-(4-methylthiophenyl)-1-azavinyl]-5-[3-(methylethoxy)phenyl]-1,2,4-tr iazole-3-thiol, 4-[(E)-(4-methylsulfanylphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione, 5-(3-isopropoxyphenyl)-4-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide
| Molecular Formula | C19H20N4OS2 |
|---|---|
| Molecular Weight | 384.11 g/mol |
| LogP | 4.99899 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.10785 |
| Heavy Atoms | 26 |
| Complexity | 958.17053 |
Chemical Identifiers
| CAS Number | 577997-53-6 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)SC |
Product Overview
(E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 577997-53-6), with molecular formula C19H20N4OS2 and molecular weight 384.11 g/mol. IUPAC: 4-[(E)-(4-methylsulfanylphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.99899 indicates that (E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, (E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol has 1 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 (E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 577997-53-6.
What is the molecular formula of (E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is C19H20N4OS2.
What is the molecular weight of (E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 384.11 g/mol.
Where can I buy (E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-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 (E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.