Thiochroman-4-one 1-oxide
TL;DR: Thiochroman-4-one 1-oxide (CAS 138469-15-5) is a chemical compound with molecular formula C9H8O2S and molecular weight 180.0245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-oxo-2,3-dihydrothiochromen-4-one
Also Known As: thiochroman-4-one 1-oxide, Thiochromanone 1-oxide, Thiochroman-4-one-1-oxide, 4-Oxothiochroman 1-oxide, 1-oxo-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 | C9H8O2S |
| Molecular Weight | 180.0245 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.0245 Da |
| Heavy Atoms | 12 |
| Complexity | 225.0 |
| SMILES | C1CS(=O)C2=CC=CC=C2C1=O |
| InChIKey | YWWKXKQNHSMQCR-UHFFFAOYSA-N |
Chemical Property Profile of Thiochroman-4-one 1-oxide
Property Insights of Thiochroman-4-one 1-oxide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiochroman-4-one 1-oxide. With a topological polar surface area (TPSA) of 53.4 Ų, Thiochroman-4-one 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiochroman-4-one 1-oxide 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 Thiochroman-4-one 1-oxide?
The CAS number of Thiochroman-4-one 1-oxide is 138469-15-5.
What is the molecular formula of Thiochroman-4-one 1-oxide?
The molecular formula of Thiochroman-4-one 1-oxide is C9H8O2S.
What is the molecular weight of Thiochroman-4-one 1-oxide?
The molecular weight of Thiochroman-4-one 1-oxide is 180.0245 g/mol.
Where can I buy Thiochroman-4-one 1-oxide?
You can request a quote for Thiochroman-4-one 1-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thiochroman-4-one 1-oxide?
Yes, CoreyChem provides custom synthesis services for Thiochroman-4-one 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.