2-((4-Methylbenzyl)thio)benzoic acid
TL;DR: 2-((4-Methylbenzyl)thio)benzoic acid (CAS 104351-51-1) is a chemical compound with molecular formula C15H14O2S and molecular weight 258.07144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-methylphenyl)methylsulfanyl]benzoic acid
Also Known As: 2-((4-Methylbenzyl)thio)benzoic acid, Farnesylacetate, 2-[(4-methylbenzyl)sulfanyl]benzenecarboxylic acid, 2-[(4-methylphenyl)methylsulfanyl]benzoic Acid, 2-{[(4-methylphenyl)methyl]sulfanyl}benzoic acid
Technical Specifications
| Molecular Formula | C15H14O2S |
| Molecular Weight | 258.07144 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.07144 Da |
| Heavy Atoms | 18 |
| Complexity | 272.0 |
| SMILES | CC1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)O |
| InChIKey | KHKYMBMPMKQXCP-UHFFFAOYSA-N |
Chemical Property Profile of 2-((4-Methylbenzyl)thio)benzoic acid
Property Insights of 2-((4-Methylbenzyl)thio)benzoic acid
The XLogP value of 3.8 indicates that 2-((4-Methylbenzyl)thio)benzoic acid 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 2-((4-Methylbenzyl)thio)benzoic acid. Following Lipinski's Rule of Five, 2-((4-Methylbenzyl)thio)benzoic 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 2-((4-Methylbenzyl)thio)benzoic acid?
The CAS number of 2-((4-Methylbenzyl)thio)benzoic acid is 104351-51-1.
What is the molecular formula of 2-((4-Methylbenzyl)thio)benzoic acid?
The molecular formula of 2-((4-Methylbenzyl)thio)benzoic acid is C15H14O2S.
What is the molecular weight of 2-((4-Methylbenzyl)thio)benzoic acid?
The molecular weight of 2-((4-Methylbenzyl)thio)benzoic acid is 258.07144 g/mol.
Where can I buy 2-((4-Methylbenzyl)thio)benzoic acid?
You can request a quote for 2-((4-Methylbenzyl)thio)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((4-Methylbenzyl)thio)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-((4-Methylbenzyl)thio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.