TL;DR: 2-(Trimethylsilylethynyl)thiophene (CAS 130995-13-0) is a chemical compound with molecular formula C9H12SSi and molecular weight 180.0429 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl(2-thiophen-2-ylethynyl)silane
Also Known As: Trimethyl(thiophen-2-ylethynyl)silane, 2-[(Trimethylsilyl)ethynyl]thiophene, null, 2-(trimethylsilylethynyl)thiophene, (2-Thienylethynyl)trimethylsilane
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H12SSi |
| Molecular Weight | 180.0429 g/mol |
| XLogP | 2.977 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.0429 Da |
| Heavy Atoms | 11 |
| Complexity | 191.0 |
| SMILES | C[Si](C)(C)C#CC1=CC=CS1 |
| InChIKey | OQUBLKNISPLGJP-UHFFFAOYSA-N |
The XLogP value of 2.977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trimethylsilylethynyl)thiophene. With a topological polar surface area (TPSA) of 28.2 Ų, 2-(Trimethylsilylethynyl)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trimethylsilylethynyl)thiophene 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 2-(Trimethylsilylethynyl)thiophene is 130995-13-0.
The molecular formula of 2-(Trimethylsilylethynyl)thiophene is C9H12SSi.
The molecular weight of 2-(Trimethylsilylethynyl)thiophene is 180.0429 g/mol.
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