(2-Bromo-4-methylphenylthio)acetic acid
TL;DR: (2-Bromo-4-methylphenylthio)acetic acid (CAS 17067-13-9) is a chemical compound with molecular formula C9H9BrO2S and molecular weight 259.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromo-4-methylphenyl)sulfanylacetic acid
Also Known As: (2-Bromo-4-methylphenylthio)acetic acid, 2-((2-bromo-4-methylphenyl)thio)acetic acid, J1.395.749E, [(2-Bromo-4-methylphenyl)sulfanyl]acetic acid, 2-(2-bromo-4-methylphenyl)sulfanylacetic acid
| Molecular Formula | C9H9BrO2S |
|---|---|
| Molecular Weight | 259.95 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.95065 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 17067-13-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)SCC(=O)O)Br |
| InChIKey | YWOOVIOSWAAEOA-UHFFFAOYSA-N |
Product Overview
(2-Bromo-4-methylphenylthio)acetic acid (CAS 17067-13-9), with molecular formula C9H9BrO2S and molecular weight 259.95 g/mol. IUPAC: 2-(2-bromo-4-methylphenyl)sulfanylacetic acid.
Chemical Property Profile of (2-Bromo-4-methylphenylthio)acetic acid
Property Insights of (2-Bromo-4-methylphenylthio)acetic acid
The XLogP value of 3.1 indicates that (2-Bromo-4-methylphenylthio)acetic 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-Bromo-4-methylphenylthio)acetic acid. Following Lipinski's Rule of Five, (2-Bromo-4-methylphenylthio)acetic 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
Frequently Asked Questions
What is the CAS number of (2-Bromo-4-methylphenylthio)acetic acid?
The CAS number of (2-Bromo-4-methylphenylthio)acetic acid is 17067-13-9.
What is the molecular formula of (2-Bromo-4-methylphenylthio)acetic acid?
The molecular formula of (2-Bromo-4-methylphenylthio)acetic acid is C9H9BrO2S.
What is the molecular weight of (2-Bromo-4-methylphenylthio)acetic acid?
The molecular weight of (2-Bromo-4-methylphenylthio)acetic acid is 259.95 g/mol.
Where can I buy (2-Bromo-4-methylphenylthio)acetic acid?
You can request a quote for (2-Bromo-4-methylphenylthio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Bromo-4-methylphenylthio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Bromo-4-methylphenylthio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.