2-Methyl-1-phenyl-1-thioxopropan-2-yl acetate
TL;DR: 2-Methyl-1-phenyl-1-thioxopropan-2-yl acetate (CAS 1033-02-9) is a chemical compound with molecular formula C12H14O2S and molecular weight 222.07146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methyl-1-phenyl-1-sulfanylidenepropan-2-yl) acetate
Also Known As: 2-methyl-1-phenyl-1-thioxopropan-2-yl acetate, (2-methyl-1-phenyl-1-sulfanylidenepropan-2-yl) acetate, 2-METHYL-1-PHENYL-1-SULFANYLIDENEPROPAN-2-YL ACETATE
Technical Specifications
| Molecular Formula | C12H14O2S |
| Molecular Weight | 222.07146 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.07146 Da |
| Heavy Atoms | 15 |
| Complexity | 252.0 |
| SMILES | CC(=O)OC(C)(C)C(=S)C1=CC=CC=C1 |
| InChIKey | XWCCJSLNDVDFIQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-1-phenyl-1-thioxopropan-2-yl acetate
Property Insights of 2-Methyl-1-phenyl-1-thioxopropan-2-yl acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1-phenyl-1-thioxopropan-2-yl acetate. With a topological polar surface area (TPSA) of 58.4 Ų, 2-Methyl-1-phenyl-1-thioxopropan-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1-phenyl-1-thioxopropan-2-yl acetate 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 2-Methyl-1-phenyl-1-thioxopropan-2-yl acetate?
The CAS number of 2-Methyl-1-phenyl-1-thioxopropan-2-yl acetate is 1033-02-9.
What is the molecular formula of 2-Methyl-1-phenyl-1-thioxopropan-2-yl acetate?
The molecular formula of 2-Methyl-1-phenyl-1-thioxopropan-2-yl acetate is C12H14O2S.
What is the molecular weight of 2-Methyl-1-phenyl-1-thioxopropan-2-yl acetate?
The molecular weight of 2-Methyl-1-phenyl-1-thioxopropan-2-yl acetate is 222.07146 g/mol.
Where can I buy 2-Methyl-1-phenyl-1-thioxopropan-2-yl acetate?
You can request a quote for 2-Methyl-1-phenyl-1-thioxopropan-2-yl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-1-phenyl-1-thioxopropan-2-yl acetate?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-1-phenyl-1-thioxopropan-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.