![2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide structure](/static/products/4894/489401-65-2.webp)
2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide
TL;DR: 2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide (CAS 489401-65-2) is a chemical compound with molecular formula C15H19ClN6OS2 and molecular weight 398.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-ethylthiourea
Also Known As: 2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide, 1-[[2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-ethylthiourea, 2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-N-ethylhydrazinecarbothioamide, 2-[5-(4-chlorophenyl)-4-ethyl(1,2,4-triazol-3-ylthio)]-N-{[(ethylamino)thioxom ethyl]amino}acetamide
| Molecular Formula | C15H19ClN6OS2 |
|---|---|
| Molecular Weight | 398.08 g/mol |
| LogP | 2.2257 |
| Topological Polar Surface Area | 83.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.07504 |
| Heavy Atoms | 25 |
| Complexity | 734.12286 |
Chemical Identifiers
| CAS Number | 489401-65-2 |
|---|---|
| SMILES | CCNC(=S)NNC(=O)CSC1=NN=C(N1CC)C2=CC=C(C=C2)Cl |
Product Overview
2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide (CAS 489401-65-2), with molecular formula C15H19ClN6OS2 and molecular weight 398.08 g/mol. IUPAC: 1-[[2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-ethylthiourea.
Chemical Property Profile of 2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide
Property Insights of 2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide
The XLogP value of 2.2257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide. The TPSA of 83.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide 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 2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide?
The CAS number of 2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide is 489401-65-2.
What is the molecular formula of 2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide?
The molecular formula of 2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide is C15H19ClN6OS2.
What is the molecular weight of 2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide?
The molecular weight of 2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide is 398.08 g/mol.
Where can I buy 2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide?
You can request a quote for 2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.