4-Bromo-3-(methylsulfanyl)thiophene-2-carboxylic acid
TL;DR: 4-Bromo-3-(methylsulfanyl)thiophene-2-carboxylic acid (CAS 887585-86-6) is a chemical compound with molecular formula C6H5BrO2S2 and molecular weight 251.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3-methylsulfanylthiophene-2-carboxylic acid
Also Known As: 4-bromo-3-(methylsulfanyl)thiophene-2-carboxylic acid, 4-Bromo-3-(methylthio)-2-thiophenecarboxylic acid, 4-bromo-3-methylsulfanylthiophene-2-carboxylic acid, 4-bromo-3-methylthiothiophene-2-carboxylic acid, 4-Bromo-3-(methylthio)thiophene-2-carboxylic acid
| Molecular Formula | C6H5BrO2S2 |
|---|---|
| Molecular Weight | 251.89 g/mol |
| LogP | 2.9307 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.89143 |
| Heavy Atoms | 11 |
| Complexity | 282.10968 |
Chemical Identifiers
| CAS Number | 887585-86-6 |
|---|---|
| SMILES | CSC1=C(SC=C1Br)C(=O)O |
Product Overview
4-Bromo-3-(methylsulfanyl)thiophene-2-carboxylic acid (CAS 887585-86-6), with molecular formula C6H5BrO2S2 and molecular weight 251.89 g/mol. IUPAC: 4-bromo-3-methylsulfanylthiophene-2-carboxylic acid.
Chemical Property Profile of 4-Bromo-3-(methylsulfanyl)thiophene-2-carboxylic acid
Property Insights of 4-Bromo-3-(methylsulfanyl)thiophene-2-carboxylic acid
The XLogP value of 2.9307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-3-(methylsulfanyl)thiophene-2-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Bromo-3-(methylsulfanyl)thiophene-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3-(methylsulfanyl)thiophene-2-carboxylic 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 4-Bromo-3-(methylsulfanyl)thiophene-2-carboxylic acid?
The CAS number of 4-Bromo-3-(methylsulfanyl)thiophene-2-carboxylic acid is 887585-86-6.
What is the molecular formula of 4-Bromo-3-(methylsulfanyl)thiophene-2-carboxylic acid?
The molecular formula of 4-Bromo-3-(methylsulfanyl)thiophene-2-carboxylic acid is C6H5BrO2S2.
What is the molecular weight of 4-Bromo-3-(methylsulfanyl)thiophene-2-carboxylic acid?
The molecular weight of 4-Bromo-3-(methylsulfanyl)thiophene-2-carboxylic acid is 251.89 g/mol.
Where can I buy 4-Bromo-3-(methylsulfanyl)thiophene-2-carboxylic acid?
You can request a quote for 4-Bromo-3-(methylsulfanyl)thiophene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3-(methylsulfanyl)thiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-(methylsulfanyl)thiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.