2-Butyl thiocyanate
TL;DR: 2-Butyl thiocyanate (CAS 25414-89-5) is a chemical compound with molecular formula C5H9NS and molecular weight 115.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl thiocyanate
Also Known As: 2-Butyl thiocyanate, s-butyl thiocyanate, Not Available, butan-2-yl thiocyanate, 2-Butylthiocyanate
| Molecular Formula | C5H9NS |
|---|---|
| Molecular Weight | 115.05 g/mol |
| LogP | 1.99918 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 115.04557 |
| Heavy Atoms | 7 |
| Complexity | 74.639565 |
Chemical Identifiers
| CAS Number | 25414-89-5 |
|---|---|
| SMILES | CCC(C)SC#N |
Product Overview
2-Butyl thiocyanate (CAS 25414-89-5), with molecular formula C5H9NS and molecular weight 115.05 g/mol. IUPAC: butan-2-yl thiocyanate.
Chemical Property Profile of 2-Butyl thiocyanate
Property Insights of 2-Butyl thiocyanate
The XLogP value of 1.99918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyl thiocyanate. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Butyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl 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
Frequently Asked Questions
What is the CAS number of 2-Butyl thiocyanate?
The CAS number of 2-Butyl thiocyanate is 25414-89-5.
What is the molecular formula of 2-Butyl thiocyanate?
The molecular formula of 2-Butyl thiocyanate is C5H9NS.
What is the molecular weight of 2-Butyl thiocyanate?
The molecular weight of 2-Butyl thiocyanate is 115.05 g/mol.
Where can I buy 2-Butyl thiocyanate?
You can request a quote for 2-Butyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.