![1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea structure](/static/products/488/488137-63-9.png)
1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea
TL;DR: 1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea (CAS 488137-63-9) is a chemical compound with molecular formula C29H32N6OS2 and molecular weight 544.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea
Also Known As: 1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea, 2-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-(4-methylphenyl)hydrazinecarbothioamide, 2-(2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)-N-(p-tolyl)hydrazinecarbothioamide, 2-{5-[4-(tert-butyl)phenyl]-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)}-N-({[( 4-methylphenyl)amino]thioxomethyl}amino)acetamide
| Molecular Formula | C29H32N6OS2 |
|---|---|
| Molecular Weight | 544.21 g/mol |
| LogP | 5.95854 |
| Topological Polar Surface Area | 83.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 544.2079 |
| Heavy Atoms | 38 |
| Complexity | 1405.7063 |
Chemical Identifiers
| CAS Number | 488137-63-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea (CAS 488137-63-9), with molecular formula C29H32N6OS2 and molecular weight 544.21 g/mol. IUPAC: 1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea.
Chemical Property Profile of 1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea
Property Insights of 1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea
The XLogP value of 5.95854 indicates that 1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea. Following Lipinski's Rule of Five, 1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea?
The CAS number of 1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea is 488137-63-9.
What is the molecular formula of 1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea?
The molecular formula of 1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea is C29H32N6OS2.
What is the molecular weight of 1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea?
The molecular weight of 1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea is 544.21 g/mol.
Where can I buy 1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea?
You can request a quote for 1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.