tert-Butyl isoselenocyanate
TL;DR: tert-Butyl isoselenocyanate (CAS 5943-40-8) is a chemical compound with molecular formula C5H9NSe and molecular weight 162.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isoselenocyanato-2-methylpropane
Also Known As: tert-Butyl isoselenocyanate, 2-isoselenocyanato-2-methylpropane, Tert-Butylisoselenocyanate, J3.574.318I, RefChem:383777
| Molecular Formula | C5H9NSe |
|---|---|
| Molecular Weight | 162.99 g/mol |
| LogP | 0.8587 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.99002 |
| Heavy Atoms | 7 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 5943-40-8 |
|---|---|
| SMILES | CC(C)(C)N=C=[Se] |
| InChIKey | CRYPQZHRHYHDMH-UHFFFAOYSA-N |
Product Overview
tert-Butyl isoselenocyanate (CAS 5943-40-8), with molecular formula C5H9NSe and molecular weight 162.99 g/mol. IUPAC: 2-isoselenocyanato-2-methylpropane.
Chemical Property Profile of tert-Butyl isoselenocyanate
Property Insights of tert-Butyl isoselenocyanate
The XLogP value of 0.8587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl isoselenocyanate. With a topological polar surface area (TPSA) of 12.4 Ų, tert-Butyl isoselenocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl isoselenocyanate 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
Frequently Asked Questions
What is the CAS number of tert-Butyl isoselenocyanate?
The CAS number of tert-Butyl isoselenocyanate is 5943-40-8.
What is the molecular formula of tert-Butyl isoselenocyanate?
The molecular formula of tert-Butyl isoselenocyanate is C5H9NSe.
What is the molecular weight of tert-Butyl isoselenocyanate?
The molecular weight of tert-Butyl isoselenocyanate is 162.99 g/mol.
Where can I buy tert-Butyl isoselenocyanate?
You can request a quote for tert-Butyl isoselenocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl isoselenocyanate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl isoselenocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.