TL;DR: 2,5-Dibromo-3-dodecylthiophene (CAS 160096-78-6) is a chemical compound with molecular formula C16H26Br2S and molecular weight 408.0122 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dibromo-3-dodecylthiophene
Also Known As: 2,5-Dibromo-3-dodecylthiophene, Thiophene, 2,5-dibromo-3-dodecyl-, 2,5-Dibromo-3-laurylthiophene, 2,5-Bromo-3-dodecylthiophene, 2,5-dibromo-3-dodecyl-thiophene
| Molecular Formula | C16H26Br2S |
| Molecular Weight | 408.0122 g/mol |
| XLogP | 9.9 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Exact Mass | 408.0122 Da |
| Heavy Atoms | 19 |
| Complexity | 211.0 |
| SMILES | CCCCCCCCCCCCC1=C(SC(=C1)Br)Br |
| InChIKey | ZIZGNWAMVWNAJT-UHFFFAOYSA-N |
The XLogP value of 9.9 indicates that 2,5-Dibromo-3-dodecylthiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 2,5-Dibromo-3-dodecylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dibromo-3-dodecylthiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,5-Dibromo-3-dodecylthiophene is 160096-78-6.
The molecular formula of 2,5-Dibromo-3-dodecylthiophene is C16H26Br2S.
The molecular weight of 2,5-Dibromo-3-dodecylthiophene is 408.0122 g/mol.
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