Acetic acid, ((2,3,5,6-tetramethylphenyl)thio)-
TL;DR: Acetic acid, ((2,3,5,6-tetramethylphenyl)thio)- (CAS 72462-81-8) is a chemical compound with molecular formula C12H16O2S and molecular weight 224.0871 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,3,5,6-tetramethylphenyl)sulfanylacetic acid
Also Known As: ((2,3,5,6-Tetramethylphenyl)thio)acetic acid, ACETIC ACID, ((2,3,5,6-TETRAMETHYLPHENYL)THIO)-, 2-(2,3,5,6-tetramethylphenyl)sulfanylacetic acid, [(2,3,5,6-Tetramethylphenyl)thio]acetic acid, 2-[(2,3,5,6-tetramethylphenyl)sulfanyl]acetic acid
Technical Specifications
| Molecular Formula | C12H16O2S |
| Molecular Weight | 224.0871 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.0871 Da |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
| SMILES | CC1=CC(=C(C(=C1C)SCC(=O)O)C)C |
| InChIKey | ZNFABVSTVBKSLB-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, ((2,3,5,6-tetramethylphenyl)thio)-
Property Insights of Acetic acid, ((2,3,5,6-tetramethylphenyl)thio)-
The XLogP value of 3.5 indicates that Acetic acid, ((2,3,5,6-tetramethylphenyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((2,3,5,6-tetramethylphenyl)thio)-. Following Lipinski's Rule of Five, Acetic acid, ((2,3,5,6-tetramethylphenyl)thio)- 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 Acetic acid, ((2,3,5,6-tetramethylphenyl)thio)-?
The CAS number of Acetic acid, ((2,3,5,6-tetramethylphenyl)thio)- is 72462-81-8.
What is the molecular formula of Acetic acid, ((2,3,5,6-tetramethylphenyl)thio)-?
The molecular formula of Acetic acid, ((2,3,5,6-tetramethylphenyl)thio)- is C12H16O2S.
What is the molecular weight of Acetic acid, ((2,3,5,6-tetramethylphenyl)thio)-?
The molecular weight of Acetic acid, ((2,3,5,6-tetramethylphenyl)thio)- is 224.0871 g/mol.
Where can I buy Acetic acid, ((2,3,5,6-tetramethylphenyl)thio)-?
You can request a quote for Acetic acid, ((2,3,5,6-tetramethylphenyl)thio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, ((2,3,5,6-tetramethylphenyl)thio)-?
Yes, CoreyChem provides custom synthesis services for Acetic acid, ((2,3,5,6-tetramethylphenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.