Octyl thiocyanate
TL;DR: Octyl thiocyanate (CAS 19942-78-0) is a chemical compound with molecular formula C9H17NS and molecular weight 171.10817 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octyl thiocyanate
Also Known As: Octyl thiocyanate, n-Octyl thiocyanate, Octyl rhodanate, Oktylthiokyanat, 1-Thiocyanatooctane
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H17NS |
| Molecular Weight | 171.10817 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 171.10817 Da |
| Heavy Atoms | 11 |
| Complexity | 114.0 |
| SMILES | CCCCCCCCSC#N |
| InChIKey | FGVYCHQRRXDRAR-UHFFFAOYSA-N |
Chemical Property Profile of Octyl thiocyanate
Property Insights of Octyl thiocyanate
The XLogP value of 4.3 indicates that Octyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, Octyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl thiocyanate 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 Octyl thiocyanate?
The CAS number of Octyl thiocyanate is 19942-78-0.
What is the molecular formula of Octyl thiocyanate?
The molecular formula of Octyl thiocyanate is C9H17NS.
What is the molecular weight of Octyl thiocyanate?
The molecular weight of Octyl thiocyanate is 171.10817 g/mol.
Where can I buy Octyl thiocyanate?
You can request a quote for Octyl thiocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octyl thiocyanate?
Yes, CoreyChem provides custom synthesis services for Octyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.