2-Butylsulphanyl-5-thiophenecarboxylic acid
TL;DR: 2-Butylsulphanyl-5-thiophenecarboxylic acid (CAS 102369-99-3) is a chemical compound with molecular formula C9H12O2S2 and molecular weight 216.02788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-butylsulfanylthiophene-2-carboxylic acid
Also Known As: 5-butylsulfanylthiophene-2-carboxylic Acid, 2-Butylsulphanyl-5-thiophenecarboxylic acid, 5-butylmercapto-thiophene-2-carboxylic acid
Technical Specifications
| Molecular Formula | C9H12O2S2 |
| Molecular Weight | 216.02788 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 90.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 216.02788 Da |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
| SMILES | CCCCSC1=CC=C(S1)C(=O)O |
| InChIKey | NFGJMNQNMAVIGH-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butylsulphanyl-5-thiophenecarboxylic acid
Property Insights of 2-Butylsulphanyl-5-thiophenecarboxylic acid
The XLogP value of 3.6 indicates that 2-Butylsulphanyl-5-thiophenecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butylsulphanyl-5-thiophenecarboxylic acid. Following Lipinski's Rule of Five, 2-Butylsulphanyl-5-thiophenecarboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Butylsulphanyl-5-thiophenecarboxylic acid?
The CAS number of 2-Butylsulphanyl-5-thiophenecarboxylic acid is 102369-99-3.
What is the molecular formula of 2-Butylsulphanyl-5-thiophenecarboxylic acid?
The molecular formula of 2-Butylsulphanyl-5-thiophenecarboxylic acid is C9H12O2S2.
What is the molecular weight of 2-Butylsulphanyl-5-thiophenecarboxylic acid?
The molecular weight of 2-Butylsulphanyl-5-thiophenecarboxylic acid is 216.02788 g/mol.
Where can I buy 2-Butylsulphanyl-5-thiophenecarboxylic acid?
You can request a quote for 2-Butylsulphanyl-5-thiophenecarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butylsulphanyl-5-thiophenecarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-Butylsulphanyl-5-thiophenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.