TL;DR: Thiophene, 3-isopropyl-2,5-dimethyl (CAS 120159-25-3) is a chemical compound with molecular formula C9H14S and molecular weight 154.08162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dimethyl-3-propan-2-ylthiophene
Also Known As: Thiophene, 3-isopropyl-2,5-dimethyl, 2,5-dimethyl-3-propan-2-ylthiophene, 3-isopropyl-2,5-dimethylthiophene, 3-isopropyl-2,5-dimethyl-thiophene, 2,5-Dimethyl-3-(propan-2-yl)thiophene
| Molecular Formula | C9H14S |
| Molecular Weight | 154.08162 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.08162 Da |
| Heavy Atoms | 10 |
| Complexity | 109.0 |
| SMILES | CC1=CC(=C(S1)C)C(C)C |
| InChIKey | PWNGEHQRNOJNNI-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that Thiophene, 3-isopropyl-2,5-dimethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, Thiophene, 3-isopropyl-2,5-dimethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiophene, 3-isopropyl-2,5-dimethyl 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 Thiophene, 3-isopropyl-2,5-dimethyl is 120159-25-3.
The molecular formula of Thiophene, 3-isopropyl-2,5-dimethyl is C9H14S.
The molecular weight of Thiophene, 3-isopropyl-2,5-dimethyl is 154.08162 g/mol.
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