![1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone structure](/static/products/7206/720671-75-0.webp)
1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone
TL;DR: 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone (CAS 720671-75-0) is a chemical compound with molecular formula C12H12ClN3OS and molecular weight 281.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]propan-1-one
Also Known As: 3-(4-chlorophenyl)-1-propionyl-1H-1,2,4-triazol-5-ylmethylsulfide, 1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone, 1-[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]propan-1-one, AE-848/42278369, 1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]propan-1-one
| Molecular Formula | C12H12ClN3OS |
|---|---|
| Molecular Weight | 281.04 g/mol |
| LogP | 3.3706 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.03897 |
| Heavy Atoms | 18 |
| Complexity | 565.20154 |
Chemical Identifiers
| CAS Number | 720671-75-0 |
|---|---|
| SMILES | CCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)SC |
Product Overview
1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone (CAS 720671-75-0), with molecular formula C12H12ClN3OS and molecular weight 281.04 g/mol. IUPAC: 1-[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]propan-1-one.
Chemical Property Profile of 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone
Property Insights of 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone
The XLogP value of 3.3706 indicates that 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone has 0 hydrogen bond donor(s) and 4 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-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone?
The CAS number of 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone is 720671-75-0.
What is the molecular formula of 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone?
The molecular formula of 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone is C12H12ClN3OS.
What is the molecular weight of 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone?
The molecular weight of 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone is 281.04 g/mol.
Where can I buy 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone?
You can request a quote for 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(4-Chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.