5-Bromo-2-(methylsulfanyl)benzoic acid
TL;DR: 5-Bromo-2-(methylsulfanyl)benzoic acid (CAS 62176-40-3) is a chemical compound with molecular formula C8H7BrO2S and molecular weight 245.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-methylsulfanylbenzoic acid
Also Known As: 5-Bromo-2-(methylthio)benzoic acid, 5-BROMO-2-(METHYLSULFANYL)BENZOIC ACID, Benzoic acid, 5-bromo-2-(methylthio)-, 5-bromo-2-methylsulfanylbenzoic acid, 5-bromo-2-methylthiobenzoic acid
| Molecular Formula | C8H7BrO2S |
|---|---|
| Molecular Weight | 245.94 g/mol |
| LogP | 2.8692 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.93501 |
| Heavy Atoms | 12 |
| Complexity | 311.9262 |
Chemical Identifiers
| CAS Number | 62176-40-3 |
|---|---|
| SMILES | CSC1=C(C=C(C=C1)Br)C(=O)O |
Product Overview
5-Bromo-2-(methylsulfanyl)benzoic acid (CAS 62176-40-3), with molecular formula C8H7BrO2S and molecular weight 245.94 g/mol. IUPAC: 5-bromo-2-methylsulfanylbenzoic acid.
Chemical Property Profile of 5-Bromo-2-(methylsulfanyl)benzoic acid
Property Insights of 5-Bromo-2-(methylsulfanyl)benzoic acid
The XLogP value of 2.8692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-(methylsulfanyl)benzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 5-Bromo-2-(methylsulfanyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-(methylsulfanyl)benzoic 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 5-Bromo-2-(methylsulfanyl)benzoic acid?
The CAS number of 5-Bromo-2-(methylsulfanyl)benzoic acid is 62176-40-3.
What is the molecular formula of 5-Bromo-2-(methylsulfanyl)benzoic acid?
The molecular formula of 5-Bromo-2-(methylsulfanyl)benzoic acid is C8H7BrO2S.
What is the molecular weight of 5-Bromo-2-(methylsulfanyl)benzoic acid?
The molecular weight of 5-Bromo-2-(methylsulfanyl)benzoic acid is 245.94 g/mol.
Where can I buy 5-Bromo-2-(methylsulfanyl)benzoic acid?
You can request a quote for 5-Bromo-2-(methylsulfanyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-(methylsulfanyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-(methylsulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.