(E)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(methylthio)benzylidene)acetohydrazide
TL;DR: (E)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(methylthio)benzylidene)acetohydrazide (CAS 840485-64-5) is a chemical compound with molecular formula C13H15N5OS2 and molecular weight 321.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: (E)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(methylthio)benzylidene)acetohydrazide, N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide, N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C13H15N5OS2 |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 1.7794 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.0718 |
| Heavy Atoms | 21 |
| Complexity | 623.74677 |
Chemical Identifiers
| CAS Number | 840485-64-5 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)N/N=C/C2=CC=C(C=C2)SC |
Product Overview
(E)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(methylthio)benzylidene)acetohydrazide (CAS 840485-64-5), with molecular formula C13H15N5OS2 and molecular weight 321.07 g/mol. IUPAC: N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of (E)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(methylthio)benzylidene)acetohydrazide
Property Insights of (E)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(methylthio)benzylidene)acetohydrazide
The XLogP value of 1.7794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(methylthio)benzylidene)acetohydrazide. The TPSA of 72.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(methylthio)benzylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(methylthio)benzylidene)acetohydrazide has 1 hydrogen bond donor(s) and 6 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)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(methylthio)benzylidene)acetohydrazide?
The CAS number of (E)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(methylthio)benzylidene)acetohydrazide is 840485-64-5.
What is the molecular formula of (E)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(methylthio)benzylidene)acetohydrazide?
The molecular formula of (E)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(methylthio)benzylidene)acetohydrazide is C13H15N5OS2.
What is the molecular weight of (E)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(methylthio)benzylidene)acetohydrazide?
The molecular weight of (E)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(methylthio)benzylidene)acetohydrazide is 321.07 g/mol.
Where can I buy (E)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(methylthio)benzylidene)acetohydrazide?
You can request a quote for (E)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(methylthio)benzylidene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(methylthio)benzylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(methylthio)benzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.