1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one
TL;DR: 1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one (CAS 1164476-44-1) is a chemical compound with molecular formula C11H8ClN3OS and molecular weight 265.00766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one
Also Known As: 1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-3-ylsulfanyl)-2-propen-1-one, 1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one, (E)-1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one, 1-(4-CHLOROPHENYL)-3-(1H-1,2,4-TRIAZOL-3-YLSULFANYL)PROP-2-EN-1-ONE
Technical Specifications
| Molecular Formula | C11H8ClN3OS |
| Molecular Weight | 265.00766 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.00766 Da |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
| SMILES | C1=CC(=CC=C1C(=O)C=CSC2=NC=NN2)Cl |
| InChIKey | YHEOXPXTWLCZEJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one
Property Insights of 1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one?
The CAS number of 1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one is 1164476-44-1.
What is the molecular formula of 1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one?
The molecular formula of 1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one is C11H8ClN3OS.
What is the molecular weight of 1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one?
The molecular weight of 1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one is 265.00766 g/mol.
Where can I buy 1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one?
You can request a quote for 1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.