2-(2-Aminoethylthio)benzoic acid
TL;DR: 2-(2-Aminoethylthio)benzoic acid (CAS 149435-17-6) is a chemical compound with molecular formula C9H11NO2S and molecular weight 197.05106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-aminoethylsulfanyl)benzoic acid
Also Known As: 2-(2-aminoethylthio)benzoic acid, 2-[(2-aminoethyl)sulfanyl]benzoic acid, 2-(2-aminoethylsulfanyl)benzoic acid, 2-(2-aminoethyl thio)benzoic acid, 2-[(2-aminoethyl)sulfanyl]benzoicacid
Technical Specifications
| Molecular Formula | C9H11NO2S |
| Molecular Weight | 197.05106 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 88.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.05106 Da |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)SCCN |
| InChIKey | QMPRDIBFLDNMPD-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Aminoethylthio)benzoic acid
Property Insights of 2-(2-Aminoethylthio)benzoic acid
The XLogP value of -1.3 indicates that 2-(2-Aminoethylthio)benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Aminoethylthio)benzoic acid. Following Lipinski's Rule of Five, 2-(2-Aminoethylthio)benzoic acid has 2 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-(2-Aminoethylthio)benzoic acid?
The CAS number of 2-(2-Aminoethylthio)benzoic acid is 149435-17-6.
What is the molecular formula of 2-(2-Aminoethylthio)benzoic acid?
The molecular formula of 2-(2-Aminoethylthio)benzoic acid is C9H11NO2S.
What is the molecular weight of 2-(2-Aminoethylthio)benzoic acid?
The molecular weight of 2-(2-Aminoethylthio)benzoic acid is 197.05106 g/mol.
Where can I buy 2-(2-Aminoethylthio)benzoic acid?
You can request a quote for 2-(2-Aminoethylthio)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Aminoethylthio)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(2-Aminoethylthio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.