2-((4-Bromo-2-methylphenyl)sulfanyl)acetic acid
TL;DR: 2-((4-Bromo-2-methylphenyl)sulfanyl)acetic acid (CAS 42943-68-0) 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-(4-bromo-2-methylphenyl)sulfanylacetic acid
Also Known As: (4-Bromo-2-methyl-phenylsulfanyl)-acetic acid, -ACETICACID, 2-[(4-bromo-2-methylphenyl)sulfanyl]acetic acid, 2-(4-bromo-2-methylphenyl)sulfanylacetic acid, (4-bromo-2-tolylthio)acetic acid
| Molecular Formula | C9H9BrO2S |
|---|---|
| Molecular Weight | 259.95 g/mol |
| LogP | 2.93422 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.95065 |
| Heavy Atoms | 13 |
| Complexity | 325.39078 |
Chemical Identifiers
| CAS Number | 42943-68-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)SCC(=O)O |
Product Overview
2-((4-Bromo-2-methylphenyl)sulfanyl)acetic acid (CAS 42943-68-0), with molecular formula C9H9BrO2S and molecular weight 259.95 g/mol. IUPAC: 2-(4-bromo-2-methylphenyl)sulfanylacetic acid.
Chemical Property Profile of 2-((4-Bromo-2-methylphenyl)sulfanyl)acetic acid
Property Insights of 2-((4-Bromo-2-methylphenyl)sulfanyl)acetic acid
The XLogP value of 2.93422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Bromo-2-methylphenyl)sulfanyl)acetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-((4-Bromo-2-methylphenyl)sulfanyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Bromo-2-methylphenyl)sulfanyl)acetic acid has 1 hydrogen bond donor(s) and 2 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-((4-Bromo-2-methylphenyl)sulfanyl)acetic acid?
The CAS number of 2-((4-Bromo-2-methylphenyl)sulfanyl)acetic acid is 42943-68-0.
What is the molecular formula of 2-((4-Bromo-2-methylphenyl)sulfanyl)acetic acid?
The molecular formula of 2-((4-Bromo-2-methylphenyl)sulfanyl)acetic acid is C9H9BrO2S.
What is the molecular weight of 2-((4-Bromo-2-methylphenyl)sulfanyl)acetic acid?
The molecular weight of 2-((4-Bromo-2-methylphenyl)sulfanyl)acetic acid is 259.95 g/mol.
Where can I buy 2-((4-Bromo-2-methylphenyl)sulfanyl)acetic acid?
You can request a quote for 2-((4-Bromo-2-methylphenyl)sulfanyl)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-((4-Bromo-2-methylphenyl)sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Bromo-2-methylphenyl)sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.