2-Phenylthiochroman-4-one
TL;DR: 2-Phenylthiochroman-4-one (CAS 110318-34-8) is a chemical compound with molecular formula C15H12OS and molecular weight 240.06088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenyl-2,3-dihydrothiochromen-4-one
Also Known As: Thioflavanone, 1-Thioflavanone, 2-phenylthiochroman-4-one, 2-Phenyl-thiochroman-4-one, 2-phenyl-2,3-dihydrothiochromen-4-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H12OS |
| Molecular Weight | 240.06088 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.06088 Da |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
| SMILES | C1C(SC2=CC=CC=C2C1=O)C3=CC=CC=C3 |
| InChIKey | AROXNAZKRPEIBY-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phenylthiochroman-4-one
Property Insights of 2-Phenylthiochroman-4-one
The XLogP value of 3.4 indicates that 2-Phenylthiochroman-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 2-Phenylthiochroman-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylthiochroman-4-one 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 2-Phenylthiochroman-4-one?
The CAS number of 2-Phenylthiochroman-4-one is 110318-34-8.
What is the molecular formula of 2-Phenylthiochroman-4-one?
The molecular formula of 2-Phenylthiochroman-4-one is C15H12OS.
What is the molecular weight of 2-Phenylthiochroman-4-one?
The molecular weight of 2-Phenylthiochroman-4-one is 240.06088 g/mol.
Where can I buy 2-Phenylthiochroman-4-one?
You can request a quote for 2-Phenylthiochroman-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenylthiochroman-4-one?
Yes, CoreyChem provides custom synthesis services for 2-Phenylthiochroman-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.