Phenoxathiin
TL;DR: Phenoxathiin (CAS 262-20-4) is a chemical compound with molecular formula C12H8OS and molecular weight 200.02959 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenoxathiine
Also Known As: Phenoxathiin, Phenoxathiine, Dibenzothioxin, Phenoxthin, Dibenzooxathiane
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H8OS |
| Molecular Weight | 200.02959 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.02959 Da |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
| Melting Point | 138 to 140 °F (NTP, 1992) |
| Boiling Point | 592 °F at 745 mmHg (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | C1=CC=C2C(=C1)OC3=CC=CC=C3S2 |
| InChIKey | GJSGGHOYGKMUPT-UHFFFAOYSA-N |
Product Description
Applications: Phenoxathiin is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Phenoxathiin (CAS 262-20-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Phenoxathiin is a heterocyclic building block identified by CAS number 262-20-4 and the molecular formula C12H8OS and a molecular weight of 200.03 g/mol. Physically, the compound has a solubility: less than 1 mg/mL at 70 °F (NTP, 1992). It is also known as Phenoxathiin and Phenoxathiine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Phenoxathiin
Property Insights of Phenoxathiin
The XLogP value of 4.5 indicates that Phenoxathiin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, Phenoxathiin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenoxathiin has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phenoxathiin?
The CAS number of Phenoxathiin is 262-20-4.
What is the molecular formula of Phenoxathiin?
The molecular formula of Phenoxathiin is C12H8OS.
What is the molecular weight of Phenoxathiin?
The molecular weight of Phenoxathiin is 200.02959 g/mol.
What are the applications of Phenoxathiin?
Phenoxathiin is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Phenoxathiin (CAS 262-20-4) with custom...
Where can I buy Phenoxathiin?
You can request a quote for Phenoxathiin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenoxathiin?
Yes, CoreyChem provides custom synthesis services for Phenoxathiin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.