2-Benzhydrylsulfanylacetic acid
TL;DR: 2-Benzhydrylsulfanylacetic acid (CAS 1216659-66-3) 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-benzhydrylsulfanylacetic acid
Also Known As: 2-(benzhydrylthio)acetic acid, 2-[(Diphenylmethyl)thio]acetic acid, (benzhydrylthio)acetic acid, Benzhydrylsulfanyl acetic acid, 2-benzhydrylsulfanylacetic Acid
Technical Specifications
| Molecular Formula | C15H14O2S |
| Molecular Weight | 258.07144 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.07144 Da |
| Heavy Atoms | 18 |
| Complexity | 237.0 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)O |
| InChIKey | HTHFEDOFDBZPRX-UHFFFAOYSA-N |
Chemical Property Profile of 2-Benzhydrylsulfanylacetic acid
Property Insights of 2-Benzhydrylsulfanylacetic acid
The XLogP value of 3.7 indicates that 2-Benzhydrylsulfanylacetic 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-Benzhydrylsulfanylacetic acid. Following Lipinski's Rule of Five, 2-Benzhydrylsulfanylacetic 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-Benzhydrylsulfanylacetic acid?
The CAS number of 2-Benzhydrylsulfanylacetic acid is 1216659-66-3.
What is the molecular formula of 2-Benzhydrylsulfanylacetic acid?
The molecular formula of 2-Benzhydrylsulfanylacetic acid is C15H14O2S.
What is the molecular weight of 2-Benzhydrylsulfanylacetic acid?
The molecular weight of 2-Benzhydrylsulfanylacetic acid is 258.07144 g/mol.
Where can I buy 2-Benzhydrylsulfanylacetic acid?
You can request a quote for 2-Benzhydrylsulfanylacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzhydrylsulfanylacetic acid?
Yes, CoreyChem provides custom synthesis services for 2-Benzhydrylsulfanylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.