4-Hydroxy-1-thiocoumarin
TL;DR: 4-Hydroxy-1-thiocoumarin (CAS 107514-60-3) is a chemical compound with molecular formula C9H6O2S and molecular weight 178.00885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxythiochromen-4-one
Also Known As: 4-hydroxy-2H-thiochromen-2-one, 4-hydroxylthiocoumarin, 2-hydroxythiochromen-4-one, 4-hydroxy-1-thiocoumarin, 2-Hydroxy-4H-1-benzothiopyran-4-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H6O2S |
| Molecular Weight | 178.00885 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.00885 Da |
| Heavy Atoms | 12 |
| Complexity | 235.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(S2)O |
| InChIKey | OSIDMAJZERBPOJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Hydroxy-1-thiocoumarin
Property Insights of 4-Hydroxy-1-thiocoumarin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-1-thiocoumarin. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-1-thiocoumarin. Following Lipinski's Rule of Five, 4-Hydroxy-1-thiocoumarin has 1 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 4-Hydroxy-1-thiocoumarin?
The CAS number of 4-Hydroxy-1-thiocoumarin is 107514-60-3.
What is the molecular formula of 4-Hydroxy-1-thiocoumarin?
The molecular formula of 4-Hydroxy-1-thiocoumarin is C9H6O2S.
What is the molecular weight of 4-Hydroxy-1-thiocoumarin?
The molecular weight of 4-Hydroxy-1-thiocoumarin is 178.00885 g/mol.
Where can I buy 4-Hydroxy-1-thiocoumarin?
You can request a quote for 4-Hydroxy-1-thiocoumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxy-1-thiocoumarin?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxy-1-thiocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.