![1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea structure](/static/products/402/402503-01-9.png)
1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea
TL;DR: 1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea (CAS 402503-01-9) is a chemical compound with molecular formula C20H22N6OS2 and molecular weight 426.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea
Also Known As: 1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea, N-{[(ethylamino)thioxomethyl]amino}-2-[4-(4-methylphenyl)-5-phenyl(1,2,4-triaz ol-3-ylthio)]acetamide, N-ethyl-2-({[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinecarbothioamide, N-ethyl-2-(2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazinecarbothioamide
| Molecular Formula | C20H22N6OS2 |
|---|---|
| Molecular Weight | 426.13 g/mol |
| LogP | 2.85002 |
| Topological Polar Surface Area | 83.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.12964 |
| Heavy Atoms | 29 |
| Complexity | 972.3963 |
Chemical Identifiers
| CAS Number | 402503-01-9 |
|---|---|
| SMILES | CCNC(=S)NNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=CC=C3 |
Product Overview
1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea (CAS 402503-01-9), with molecular formula C20H22N6OS2 and molecular weight 426.13 g/mol. IUPAC: 1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea.
Chemical Property Profile of 1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea
Property Insights of 1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea
The XLogP value of 2.85002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea. The TPSA of 83.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea. Following Lipinski's Rule of Five, 1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea has 3 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 1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea?
The CAS number of 1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea is 402503-01-9.
What is the molecular formula of 1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea?
The molecular formula of 1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea is C20H22N6OS2.
What is the molecular weight of 1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea?
The molecular weight of 1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea is 426.13 g/mol.
Where can I buy 1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea?
You can request a quote for 1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-3-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.