(2,6-Dibromo-4-methylphenylthio)acetic acid
TL;DR: (2,6-Dibromo-4-methylphenylthio)acetic acid (CAS 38207-04-4) is a chemical compound with molecular formula C9H8Br2O2S and molecular weight 337.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6-dibromo-4-methylphenyl)sulfanylacetic acid
Also Known As: (2,6-Dibromo-4-methylphenylthio)acetic acid, J1.395.905F, 2-((2,6-dibromo-4-methylphenyl)thio)acetic acid, 2-(2,6-dibromo-4-methylphenyl)sulfanylacetic acid, [(2,6-Dibromo-4-methylphenyl)sulfanyl]acetic acid #
| Molecular Formula | C9H8Br2O2S |
|---|---|
| Molecular Weight | 337.86 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.86118 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 38207-04-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)Br)SCC(=O)O)Br |
| InChIKey | AGTHGVNTEJRSRP-UHFFFAOYSA-N |
Product Overview
(2,6-Dibromo-4-methylphenylthio)acetic acid (CAS 38207-04-4), with molecular formula C9H8Br2O2S and molecular weight 337.86 g/mol. IUPAC: 2-(2,6-dibromo-4-methylphenyl)sulfanylacetic acid.
Chemical Property Profile of (2,6-Dibromo-4-methylphenylthio)acetic acid
Property Insights of (2,6-Dibromo-4-methylphenylthio)acetic acid
The XLogP value of 3.8 indicates that (2,6-Dibromo-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 (2,6-Dibromo-4-methylphenylthio)acetic acid. Following Lipinski's Rule of Five, (2,6-Dibromo-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 (2,6-Dibromo-4-methylphenylthio)acetic acid?
The CAS number of (2,6-Dibromo-4-methylphenylthio)acetic acid is 38207-04-4.
What is the molecular formula of (2,6-Dibromo-4-methylphenylthio)acetic acid?
The molecular formula of (2,6-Dibromo-4-methylphenylthio)acetic acid is C9H8Br2O2S.
What is the molecular weight of (2,6-Dibromo-4-methylphenylthio)acetic acid?
The molecular weight of (2,6-Dibromo-4-methylphenylthio)acetic acid is 337.86 g/mol.
Where can I buy (2,6-Dibromo-4-methylphenylthio)acetic acid?
You can request a quote for (2,6-Dibromo-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 (2,6-Dibromo-4-methylphenylthio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2,6-Dibromo-4-methylphenylthio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.