Methyl 2-(3-phenyl-5-isoxazolyl)phenyl sulfide
TL;DR: Methyl 2-(3-phenyl-5-isoxazolyl)phenyl sulfide (CAS 153201-36-6) is a chemical compound with molecular formula C16H13NOS and molecular weight 267.07178 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2-methylsulfanylphenyl)-3-phenyl-1,2-oxazole
Also Known As: methyl 2-(3-phenyl-5-isoxazolyl)phenyl sulfide, 5-(2-methylsulfanylphenyl)-3-phenyl-1,2-oxazole, 5-[2-(methylsulfanyl)phenyl]-3-phenyl-1,2-oxazole, 3-Phenyl-5-[2-(methylthio)phenyl]isoxazole, J2.177.419G
Technical Specifications
| Molecular Formula | C16H13NOS |
| Molecular Weight | 267.07178 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 51.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.07178 Da |
| Heavy Atoms | 19 |
| Complexity | 280.0 |
| SMILES | CSC1=CC=CC=C1C2=CC(=NO2)C3=CC=CC=C3 |
| InChIKey | JQQOCNKLYOYDPS-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(3-phenyl-5-isoxazolyl)phenyl sulfide
Property Insights of Methyl 2-(3-phenyl-5-isoxazolyl)phenyl sulfide
The XLogP value of 4.2 indicates that Methyl 2-(3-phenyl-5-isoxazolyl)phenyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, Methyl 2-(3-phenyl-5-isoxazolyl)phenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(3-phenyl-5-isoxazolyl)phenyl sulfide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-(3-phenyl-5-isoxazolyl)phenyl sulfide?
The CAS number of Methyl 2-(3-phenyl-5-isoxazolyl)phenyl sulfide is 153201-36-6.
What is the molecular formula of Methyl 2-(3-phenyl-5-isoxazolyl)phenyl sulfide?
The molecular formula of Methyl 2-(3-phenyl-5-isoxazolyl)phenyl sulfide is C16H13NOS.
What is the molecular weight of Methyl 2-(3-phenyl-5-isoxazolyl)phenyl sulfide?
The molecular weight of Methyl 2-(3-phenyl-5-isoxazolyl)phenyl sulfide is 267.07178 g/mol.
Where can I buy Methyl 2-(3-phenyl-5-isoxazolyl)phenyl sulfide?
You can request a quote for Methyl 2-(3-phenyl-5-isoxazolyl)phenyl sulfide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(3-phenyl-5-isoxazolyl)phenyl sulfide?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(3-phenyl-5-isoxazolyl)phenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.