5-Phenyl-3-prop-2-ynylthio(1,2,4-triazolyl) 2-thienyl ketone
TL;DR: 5-Phenyl-3-prop-2-ynylthio(1,2,4-triazolyl) 2-thienyl ketone (CAS 1023537-48-5) is a chemical compound with molecular formula C16H11N3OS2 and molecular weight 325.03436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone
Also Known As: 5-PHENYL-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE, (5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone, (5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)-(2-thienyl)methanone, (5-Phenyl-3-(prop-2-yn-1-ylthio)-1H-1,2,4-triazol-1-yl)(thiophen-2-yl)methanone, (5-phenyl-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)-thiophen-2-yl-methanone
Technical Specifications
| Molecular Formula | C16H11N3OS2 |
| Molecular Weight | 325.03436 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.03436 Da |
| Heavy Atoms | 22 |
| Complexity | 444.0 |
| SMILES | C#CCSC1=NN(C(=N1)C2=CC=CC=C2)C(=O)C3=CC=CS3 |
| InChIKey | ZAOIVHKLZDTZIK-UHFFFAOYSA-N |
Chemical Property Profile of 5-Phenyl-3-prop-2-ynylthio(1,2,4-triazolyl) 2-thienyl ketone
Property Insights of 5-Phenyl-3-prop-2-ynylthio(1,2,4-triazolyl) 2-thienyl ketone
The XLogP value of 4.2 indicates that 5-Phenyl-3-prop-2-ynylthio(1,2,4-triazolyl) 2-thienyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Phenyl-3-prop-2-ynylthio(1,2,4-triazolyl) 2-thienyl ketone. Following Lipinski's Rule of Five, 5-Phenyl-3-prop-2-ynylthio(1,2,4-triazolyl) 2-thienyl ketone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Phenyl-3-prop-2-ynylthio(1,2,4-triazolyl) 2-thienyl ketone?
The CAS number of 5-Phenyl-3-prop-2-ynylthio(1,2,4-triazolyl) 2-thienyl ketone is 1023537-48-5.
What is the molecular formula of 5-Phenyl-3-prop-2-ynylthio(1,2,4-triazolyl) 2-thienyl ketone?
The molecular formula of 5-Phenyl-3-prop-2-ynylthio(1,2,4-triazolyl) 2-thienyl ketone is C16H11N3OS2.
What is the molecular weight of 5-Phenyl-3-prop-2-ynylthio(1,2,4-triazolyl) 2-thienyl ketone?
The molecular weight of 5-Phenyl-3-prop-2-ynylthio(1,2,4-triazolyl) 2-thienyl ketone is 325.03436 g/mol.
Where can I buy 5-Phenyl-3-prop-2-ynylthio(1,2,4-triazolyl) 2-thienyl ketone?
You can request a quote for 5-Phenyl-3-prop-2-ynylthio(1,2,4-triazolyl) 2-thienyl ketone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Phenyl-3-prop-2-ynylthio(1,2,4-triazolyl) 2-thienyl ketone?
Yes, CoreyChem provides custom synthesis services for 5-Phenyl-3-prop-2-ynylthio(1,2,4-triazolyl) 2-thienyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.