Silyl isothiocyanate
TL;DR: Silyl isothiocyanate (CAS 14311-54-7) is a chemical compound with molecular formula CH3NSSi and molecular weight 88.97555 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
isothiocyanatosilane
Also Known As: silyl isothiocyanate, isothiocyanatosilane, Silane, isothiocyanato-
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | CH3NSSi |
| Molecular Weight | 88.97555 g/mol |
| XLogP | -0.6304 |
| Topological Polar Surface Area (TPSA) | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 88.97555 Da |
| Heavy Atoms | 4 |
| Complexity | 46.0 |
| SMILES | C(=N[SiH3])=S |
| InChIKey | WDQDMOPZMLEJKT-UHFFFAOYSA-N |
Chemical Property Profile of Silyl isothiocyanate
Property Insights of Silyl isothiocyanate
The XLogP value of -0.6304 indicates that Silyl isothiocyanate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.5 Ų, Silyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Silyl isothiocyanate 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 Silyl isothiocyanate?
The CAS number of Silyl isothiocyanate is 14311-54-7.
What is the molecular formula of Silyl isothiocyanate?
The molecular formula of Silyl isothiocyanate is CH3NSSi.
What is the molecular weight of Silyl isothiocyanate?
The molecular weight of Silyl isothiocyanate is 88.97555 g/mol.
Where can I buy Silyl isothiocyanate?
You can request a quote for Silyl isothiocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Silyl isothiocyanate?
Yes, CoreyChem provides custom synthesis services for Silyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.