![2-[2-(4-Bromophenyl)-2-oxoethylthio]acetic acid structure](/static/products/1537/153783-87-0.webp)
2-[2-(4-Bromophenyl)-2-oxoethylthio]acetic acid
TL;DR: 2-[2-(4-Bromophenyl)-2-oxoethylthio]acetic acid (CAS 153783-87-0) is a chemical compound with molecular formula C10H9BrO3S and molecular weight 287.9456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanylacetic acid
Also Known As: 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]acetic acid, 2-[2-(4-bromophenyl)-2-oxoethylthio]acetic acid, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanylacetic acid, [2-(4-Bromo-phenyl)-2-oxo-ethylsulfanyl]-acetic acid, 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanylacetic Acid
Technical Specifications
| Molecular Formula | C10H9BrO3S |
| Molecular Weight | 287.9456 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.9456 Da |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| SMILES | C1=CC(=CC=C1C(=O)CSCC(=O)O)Br |
| InChIKey | UXTMAKHYTCABON-UHFFFAOYSA-N |
Chemical Property Profile of 2-[2-(4-Bromophenyl)-2-oxoethylthio]acetic acid
Property Insights of 2-[2-(4-Bromophenyl)-2-oxoethylthio]acetic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(4-Bromophenyl)-2-oxoethylthio]acetic acid. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-Bromophenyl)-2-oxoethylthio]acetic acid. Following Lipinski's Rule of Five, 2-[2-(4-Bromophenyl)-2-oxoethylthio]acetic acid has 1 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-(4-Bromophenyl)-2-oxoethylthio]acetic acid?
The CAS number of 2-[2-(4-Bromophenyl)-2-oxoethylthio]acetic acid is 153783-87-0.
What is the molecular formula of 2-[2-(4-Bromophenyl)-2-oxoethylthio]acetic acid?
The molecular formula of 2-[2-(4-Bromophenyl)-2-oxoethylthio]acetic acid is C10H9BrO3S.
What is the molecular weight of 2-[2-(4-Bromophenyl)-2-oxoethylthio]acetic acid?
The molecular weight of 2-[2-(4-Bromophenyl)-2-oxoethylthio]acetic acid is 287.9456 g/mol.
Where can I buy 2-[2-(4-Bromophenyl)-2-oxoethylthio]acetic acid?
You can request a quote for 2-[2-(4-Bromophenyl)-2-oxoethylthio]acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[2-(4-Bromophenyl)-2-oxoethylthio]acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-[2-(4-Bromophenyl)-2-oxoethylthio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.