TL;DR: 5-[(4-Chlorophenyl)sulfanyl]-2-thiophenecarbaldehyde (CAS 139120-69-7) is a chemical compound with molecular formula C11H7ClOS2 and molecular weight 253.96269 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-chlorophenyl)sulfanylthiophene-2-carbaldehyde
Also Known As: 5-[(4-chlorophenyl)sulfanyl]-2-thiophenecarbaldehyde, 4113AD, 5-(4-chlorophenyl)sulfanylthiophene-2-carbaldehyde, 5-((4-Chlorophenyl)thio)thiophene-2-carbaldehyde, 5-[(4-chlorophenyl)sulfanyl]thiophene-2-carbaldehyde
| Molecular Formula | C11H7ClOS2 |
| Molecular Weight | 253.96269 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 70.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.96269 Da |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
| SMILES | C1=CC(=CC=C1SC2=CC=C(S2)C=O)Cl |
| InChIKey | LUQJCKBNBFDXJC-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 5-[(4-Chlorophenyl)sulfanyl]-2-thiophenecarbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-Chlorophenyl)sulfanyl]-2-thiophenecarbaldehyde. Following Lipinski's Rule of Five, 5-[(4-Chlorophenyl)sulfanyl]-2-thiophenecarbaldehyde has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-[(4-Chlorophenyl)sulfanyl]-2-thiophenecarbaldehyde is 139120-69-7.
The molecular formula of 5-[(4-Chlorophenyl)sulfanyl]-2-thiophenecarbaldehyde is C11H7ClOS2.
The molecular weight of 5-[(4-Chlorophenyl)sulfanyl]-2-thiophenecarbaldehyde is 253.96269 g/mol.
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