(E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one
TL;DR: (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one (CAS 1164473-25-9) is a chemical compound with molecular formula C14H11N3OS and molecular weight 269.0623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one
Also Known As: BAS 03379641, BIM-0049263.P001, 3-Phenyl-1-(3-prop-2-ynylsulfanyl-[1,2,4]triazol-4-yl)-propenone, (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one, (E)-3-phenyl-1-[3-(propargylthio)-1,2,4-triazol-4-yl]prop-2-en-1-one
Technical Specifications
| Molecular Formula | C14H11N3OS |
| Molecular Weight | 269.0623 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 73.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.0623 Da |
| Heavy Atoms | 19 |
| Complexity | 381.0 |
| SMILES | C#CCSC1=NN=CN1C(=O)/C=C/C2=CC=CC=C2 |
| InChIKey | ZZEMRLVZULCKAZ-CMDGGOBGSA-N |
Chemical Property Profile of (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one
Property Insights of (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one. Following Lipinski's Rule of Five, (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one 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
What is the CAS number of (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one?
The CAS number of (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one is 1164473-25-9.
What is the molecular formula of (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one?
The molecular formula of (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one is C14H11N3OS.
What is the molecular weight of (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one?
The molecular weight of (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one is 269.0623 g/mol.
Where can I buy (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one?
You can request a quote for (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for (E)-3-phenyl-1-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.