3-Phenyl-2-thioxopropanoic acid
TL;DR: 3-Phenyl-2-thioxopropanoic acid (CAS 10141-65-8) 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.
3-phenyl-2-sulfanylidenepropanoic acid
Also Known As: 3-phenyl-2-thioxopropanoic acid, 3-phenyl-2-sulfanylidenepropanoic acid
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8O2S |
| Molecular Weight | 180.0245 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.0245 Da |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
| SMILES | C1=CC=C(C=C1)CC(=S)C(=O)O |
| InChIKey | MKEFQJVTBFZDGF-UHFFFAOYSA-N |
Chemical Property Profile of 3-Phenyl-2-thioxopropanoic acid
Property Insights of 3-Phenyl-2-thioxopropanoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-2-thioxopropanoic acid. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenyl-2-thioxopropanoic acid. Following Lipinski's Rule of Five, 3-Phenyl-2-thioxopropanoic acid 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 3-Phenyl-2-thioxopropanoic acid?
The CAS number of 3-Phenyl-2-thioxopropanoic acid is 10141-65-8.
What is the molecular formula of 3-Phenyl-2-thioxopropanoic acid?
The molecular formula of 3-Phenyl-2-thioxopropanoic acid is C9H8O2S.
What is the molecular weight of 3-Phenyl-2-thioxopropanoic acid?
The molecular weight of 3-Phenyl-2-thioxopropanoic acid is 180.0245 g/mol.
Where can I buy 3-Phenyl-2-thioxopropanoic acid?
You can request a quote for 3-Phenyl-2-thioxopropanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Phenyl-2-thioxopropanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Phenyl-2-thioxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.