3-Thiophenecarboxylic acid, 4-(methylthio)-
TL;DR: 3-Thiophenecarboxylic acid, 4-(methylthio)- (CAS 78071-31-5) is a chemical compound with molecular formula C6H6O2S2 and molecular weight 173.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanylthiophene-3-carboxylic acid
Also Known As: 3-Thiophenecarboxylic acid, 4-(methylthio)-, 4-methylsulfanylthiophene-3-carboxylic acid, 4-(METHYLSULFANYL)THIOPHENE-3-CARBOXYLIC ACID, 4-methylsulfanyl-thiophene-3-carboxylic acid, AI-942/25034222
| Molecular Formula | C6H6O2S2 |
|---|---|
| Molecular Weight | 173.98 g/mol |
| LogP | 2.1682 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.98093 |
| Heavy Atoms | 10 |
| Complexity | 241.65079 |
Chemical Identifiers
| CAS Number | 78071-31-5 |
|---|---|
| SMILES | CSC1=CSC=C1C(=O)O |
Product Overview
3-Thiophenecarboxylic acid, 4-(methylthio)- (CAS 78071-31-5), with molecular formula C6H6O2S2 and molecular weight 173.98 g/mol. IUPAC: 4-methylsulfanylthiophene-3-carboxylic acid.
Chemical Property Profile of 3-Thiophenecarboxylic acid, 4-(methylthio)-
Property Insights of 3-Thiophenecarboxylic acid, 4-(methylthio)-
The XLogP value of 2.1682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiophenecarboxylic acid, 4-(methylthio)-. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Thiophenecarboxylic acid, 4-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiophenecarboxylic acid, 4-(methylthio)- 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 3-Thiophenecarboxylic acid, 4-(methylthio)-?
The CAS number of 3-Thiophenecarboxylic acid, 4-(methylthio)- is 78071-31-5.
What is the molecular formula of 3-Thiophenecarboxylic acid, 4-(methylthio)-?
The molecular formula of 3-Thiophenecarboxylic acid, 4-(methylthio)- is C6H6O2S2.
What is the molecular weight of 3-Thiophenecarboxylic acid, 4-(methylthio)-?
The molecular weight of 3-Thiophenecarboxylic acid, 4-(methylthio)- is 173.98 g/mol.
Where can I buy 3-Thiophenecarboxylic acid, 4-(methylthio)-?
You can request a quote for 3-Thiophenecarboxylic acid, 4-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiophenecarboxylic acid, 4-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiophenecarboxylic acid, 4-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.