S-phenyl 2-oxopropanethioate
TL;DR: S-phenyl 2-oxopropanethioate (CAS 13884-99-6) 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.
S-phenyl 2-oxopropanethioate
Also Known As: S-phenyl 2-oxopropanethioate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8O2S |
| Molecular Weight | 180.0245 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.0245 Da |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
| SMILES | CC(=O)C(=O)SC1=CC=CC=C1 |
| InChIKey | MBBABSHVZAZSCW-UHFFFAOYSA-N |
Chemical Property Profile of S-phenyl 2-oxopropanethioate
Property Insights of S-phenyl 2-oxopropanethioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-phenyl 2-oxopropanethioate. With a topological polar surface area (TPSA) of 59.4 Ų, S-phenyl 2-oxopropanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-phenyl 2-oxopropanethioate 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 S-phenyl 2-oxopropanethioate?
The CAS number of S-phenyl 2-oxopropanethioate is 13884-99-6.
What is the molecular formula of S-phenyl 2-oxopropanethioate?
The molecular formula of S-phenyl 2-oxopropanethioate is C9H8O2S.
What is the molecular weight of S-phenyl 2-oxopropanethioate?
The molecular weight of S-phenyl 2-oxopropanethioate is 180.0245 g/mol.
Where can I buy S-phenyl 2-oxopropanethioate?
You can request a quote for S-phenyl 2-oxopropanethioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-phenyl 2-oxopropanethioate?
Yes, CoreyChem provides custom synthesis services for S-phenyl 2-oxopropanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.