TL;DR: [2,2':5',2''-Terthiophene]-5-acetic acid (CAS 138024-46-1) is a chemical compound with molecular formula C14H10O2S3 and molecular weight 305.98428 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acetic acid
Also Known As: .alpha.-T AcOH deriv., [2,2':5',2''-Terthiophene]-5-acetic acid, 2,2':5',2"-Terthiophene-5-acetic acid, 2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]acetic acid, 2-[5-[5-(2-thienyl)-2-thienyl]-2-thienyl]acetic acid
| Molecular Formula | C14H10O2S3 |
| Molecular Weight | 305.98428 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.98428 Da |
| Heavy Atoms | 19 |
| Complexity | 337.0 |
| SMILES | C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)CC(=O)O |
| InChIKey | CKNPUFPUUQOAQY-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that [2,2':5',2''-Terthiophene]-5-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [2,2':5',2''-Terthiophene]-5-acetic acid. Following Lipinski's Rule of Five, [2,2':5',2''-Terthiophene]-5-acetic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [2,2':5',2''-Terthiophene]-5-acetic acid is 138024-46-1.
The molecular formula of [2,2':5',2''-Terthiophene]-5-acetic acid is C14H10O2S3.
The molecular weight of [2,2':5',2''-Terthiophene]-5-acetic acid is 305.98428 g/mol.
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