Pentyl selenocyanate
TL;DR: Pentyl selenocyanate (CAS 163398-03-6) is a chemical compound with molecular formula C6H11NSe and molecular weight 177.00568 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pentyl selenocyanate
Also Known As: Pentyl selenocyanate, PENTYLSELENOCYANATE, Selenocyanic acid,pentyl ester, CCRIS 7954
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H11NSe |
| Molecular Weight | 177.00568 g/mol |
| XLogP | 1.78018 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.00568 Da |
| Heavy Atoms | 8 |
| Complexity | 81.0 |
| SMILES | CCCCC[Se]C#N |
| InChIKey | CECRYZRJRPIGMC-UHFFFAOYSA-N |
Chemical Property Profile of Pentyl selenocyanate
Property Insights of Pentyl selenocyanate
The XLogP value of 1.78018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentyl selenocyanate. With a topological polar surface area (TPSA) of 23.8 Ų, Pentyl selenocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl selenocyanate has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pentyl selenocyanate?
The CAS number of Pentyl selenocyanate is 163398-03-6.
What is the molecular formula of Pentyl selenocyanate?
The molecular formula of Pentyl selenocyanate is C6H11NSe.
What is the molecular weight of Pentyl selenocyanate?
The molecular weight of Pentyl selenocyanate is 177.00568 g/mol.
Where can I buy Pentyl selenocyanate?
You can request a quote for Pentyl selenocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentyl selenocyanate?
Yes, CoreyChem provides custom synthesis services for Pentyl selenocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.