![2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide structure](/static/products/488/488110-76-5.png)
2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide
TL;DR: 2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide (CAS 488110-76-5) is a chemical compound with molecular formula C23H19BrN6OS2 and molecular weight 538.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenylthiourea
Also Known As: 2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide, 1-[[2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea, 1-[[2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenylthiourea, 2-(2-((4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-N-phenylhydrazinecarbothioamide, 2-[4-(4-bromophenyl)-5-phenyl(1,2,4-triazol-3-ylthio)]-N-{[(phenylamino)thioxo methyl]amino}acetamide
| Molecular Formula | C23H19BrN6OS2 |
|---|---|
| Molecular Weight | 538.02 g/mol |
| LogP | 4.8067 |
| Topological Polar Surface Area | 83.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.02454 |
| Heavy Atoms | 33 |
| Complexity | 1233.0685 |
Chemical Identifiers
| CAS Number | 488110-76-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NNC(=S)NC4=CC=CC=C4 |
Product Overview
2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide (CAS 488110-76-5), with molecular formula C23H19BrN6OS2 and molecular weight 538.02 g/mol. IUPAC: 1-[[2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenylthiourea.
Chemical Property Profile of 2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide
Property Insights of 2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide
The XLogP value of 4.8067 indicates that 2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide 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 2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide 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 2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide?
The CAS number of 2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide is 488110-76-5.
What is the molecular formula of 2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide?
The molecular formula of 2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide is C23H19BrN6OS2.
What is the molecular weight of 2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide?
The molecular weight of 2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide is 538.02 g/mol.
Where can I buy 2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide?
You can request a quote for 2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-phenylhydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.