3-((3,4-Dimethylphenyl)sulfanyl)propanoic acid
TL;DR: 3-((3,4-Dimethylphenyl)sulfanyl)propanoic acid (CAS 104216-46-8) is a chemical compound with molecular formula C11H14O2S and molecular weight 210.07146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,4-dimethylphenyl)sulfanylpropanoic acid
Also Known As: Methylpyruvate, 3-[(3,4-dimethylphenyl)thio]propanoic acid, 3-[(3,4-dimethylphenyl)sulfanyl]propanoic acid, 3-(3,4-dimethylphenyl)sulfanylpropanoic Acid, Propanoicacid, 3-[(3,4-dimethylphenyl)thio]-
Technical Specifications
| Molecular Formula | C11H14O2S |
| Molecular Weight | 210.07146 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.07146 Da |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
| SMILES | CC1=C(C=C(C=C1)SCCC(=O)O)C |
| InChIKey | OVGUBQSJOHHQOX-UHFFFAOYSA-N |
Chemical Property Profile of 3-((3,4-Dimethylphenyl)sulfanyl)propanoic acid
Property Insights of 3-((3,4-Dimethylphenyl)sulfanyl)propanoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((3,4-Dimethylphenyl)sulfanyl)propanoic acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((3,4-Dimethylphenyl)sulfanyl)propanoic acid. Following Lipinski's Rule of Five, 3-((3,4-Dimethylphenyl)sulfanyl)propanoic 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-((3,4-Dimethylphenyl)sulfanyl)propanoic acid?
The CAS number of 3-((3,4-Dimethylphenyl)sulfanyl)propanoic acid is 104216-46-8.
What is the molecular formula of 3-((3,4-Dimethylphenyl)sulfanyl)propanoic acid?
The molecular formula of 3-((3,4-Dimethylphenyl)sulfanyl)propanoic acid is C11H14O2S.
What is the molecular weight of 3-((3,4-Dimethylphenyl)sulfanyl)propanoic acid?
The molecular weight of 3-((3,4-Dimethylphenyl)sulfanyl)propanoic acid is 210.07146 g/mol.
Where can I buy 3-((3,4-Dimethylphenyl)sulfanyl)propanoic acid?
You can request a quote for 3-((3,4-Dimethylphenyl)sulfanyl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-((3,4-Dimethylphenyl)sulfanyl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-((3,4-Dimethylphenyl)sulfanyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.