2-Acetylthio-2-methylpropanoic acid
TL;DR: 2-Acetylthio-2-methylpropanoic acid (CAS 135937-96-1) is a chemical compound with molecular formula C6H10O3S and molecular weight 162.03506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetylsulfanyl-2-methylpropanoic acid
Also Known As: 2-Acetylthioisobutyric Acid, 2-acetylthio-2-methylpropanoic acid, (2-Acetylthio)-2-methylpropanoic Acid, 2-acetylsulfanyl-2-methylpropanoic acid, 2-acetylsulfanyl-2-methyl-propanoic Acid
Technical Specifications
| Molecular Formula | C6H10O3S |
| Molecular Weight | 162.03506 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.03506 Da |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
| SMILES | CC(=O)SC(C)(C)C(=O)O |
| InChIKey | VWFLRUHSTBKRHC-UHFFFAOYSA-N |
Chemical Property Profile of 2-Acetylthio-2-methylpropanoic acid
Property Insights of 2-Acetylthio-2-methylpropanoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetylthio-2-methylpropanoic acid. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetylthio-2-methylpropanoic acid. Following Lipinski's Rule of Five, 2-Acetylthio-2-methylpropanoic acid has 1 hydrogen bond donor(s) and 4 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-Acetylthio-2-methylpropanoic acid?
The CAS number of 2-Acetylthio-2-methylpropanoic acid is 135937-96-1.
What is the molecular formula of 2-Acetylthio-2-methylpropanoic acid?
The molecular formula of 2-Acetylthio-2-methylpropanoic acid is C6H10O3S.
What is the molecular weight of 2-Acetylthio-2-methylpropanoic acid?
The molecular weight of 2-Acetylthio-2-methylpropanoic acid is 162.03506 g/mol.
Where can I buy 2-Acetylthio-2-methylpropanoic acid?
You can request a quote for 2-Acetylthio-2-methylpropanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Acetylthio-2-methylpropanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Acetylthio-2-methylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.