Trimethylsilyl isocyanate
TL;DR: Trimethylsilyl isocyanate (CAS 1118-02-1) is a chemical compound with molecular formula C4H9NOSi and molecular weight 115.04534 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
isocyanato(trimethyl)silane
Also Known As: Trimethylsilyl isocyanate, Isocyanatotrimethylsilane, isocyanato(trimethyl)silane, Silane, isocyanatotrimethyl-, TMSisocyanate
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H9NOSi |
| Molecular Weight | 115.04534 g/mol |
| XLogP | 1.16 |
| Topological Polar Surface Area (TPSA) | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 115.04534 Da |
| Heavy Atoms | 7 |
| Complexity | 98.0 |
| SMILES | C[Si](C)(C)N=C=O |
| InChIKey | NIZHERJWXFHGGU-UHFFFAOYSA-N |
Chemical Property Profile of Trimethylsilyl isocyanate
Property Insights of Trimethylsilyl isocyanate
The XLogP value of 1.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethylsilyl isocyanate. With a topological polar surface area (TPSA) of 29.4 Ų, Trimethylsilyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethylsilyl isocyanate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Trimethylsilyl isocyanate?
The CAS number of Trimethylsilyl isocyanate is 1118-02-1.
What is the molecular formula of Trimethylsilyl isocyanate?
The molecular formula of Trimethylsilyl isocyanate is C4H9NOSi.
What is the molecular weight of Trimethylsilyl isocyanate?
The molecular weight of Trimethylsilyl isocyanate is 115.04534 g/mol.
Where can I buy Trimethylsilyl isocyanate?
You can request a quote for Trimethylsilyl isocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trimethylsilyl isocyanate?
Yes, CoreyChem provides custom synthesis services for Trimethylsilyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.