TL;DR: 2-[(4-Chlorophenyl)thio]thiophene (CAS 139120-68-6) is a chemical compound with molecular formula C10H7ClS2 and molecular weight 225.96777 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)sulfanylthiophene
Also Known As: 2-[(4-chlorophenyl)thio]thiophene, 2-(4-chlorophenyl)sulfanylthiophene, 2-[(4-chlorophenyl)sulfanyl]thiophene, 2-(4-chlorophenylthio)thiophene, 4-BROMOISOQUINOLIN-1-OL
| Molecular Formula | C10H7ClS2 |
| Molecular Weight | 225.96777 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 53.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.96777 Da |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
| SMILES | C1=CSC(=C1)SC2=CC=C(C=C2)Cl |
| InChIKey | PIAUZDSRZBRMNM-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 2-[(4-Chlorophenyl)thio]thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.5 Ų, 2-[(4-Chlorophenyl)thio]thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Chlorophenyl)thio]thiophene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(4-Chlorophenyl)thio]thiophene is 139120-68-6.
The molecular formula of 2-[(4-Chlorophenyl)thio]thiophene is C10H7ClS2.
The molecular weight of 2-[(4-Chlorophenyl)thio]thiophene is 225.96777 g/mol.
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