TL;DR: 3-Iodothiophene (CAS 10486-61-0) is a chemical compound with molecular formula C4H3IS and molecular weight 209.90002 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-iodothiophene
Also Known As: 3-Iodothiophene, Thiophene, 3-iodo-, Iodothiophene, 3-lodothiophene, 3-Thienyl Iodide
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C4H3IS |
| Molecular Weight | 209.90002 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.90002 Da |
| Heavy Atoms | 6 |
| Complexity | 46.0 |
| SMILES | C1=CSC=C1I |
| InChIKey | WGKRMQIQXMJVFZ-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Iodothiophene. With a topological polar surface area (TPSA) of 28.2 Ų, 3-Iodothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Iodothiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Iodothiophene is 10486-61-0.
The molecular formula of 3-Iodothiophene is C4H3IS.
The molecular weight of 3-Iodothiophene is 209.90002 g/mol.
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