Cyclooctyl isothiocyanate
TL;DR: Cyclooctyl isothiocyanate (CAS 33522-04-2) is a chemical compound with molecular formula C9H15NS and molecular weight 169.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isothiocyanatocyclooctane
Also Known As: Cyclooctyl isothiocyanate, isothiocyanatocyclooctane, cyclooctanisothiocyanate, CYCLOOCTylisoTHIOCYANATE, Cyclooctane,isothiocyanato
| Molecular Formula | C9H15NS |
|---|---|
| Molecular Weight | 169.09 g/mol |
| LogP | 3.2021 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.09251 |
| Heavy Atoms | 11 |
| Complexity | 141.64172 |
Chemical Identifiers
| CAS Number | 33522-04-2 |
|---|---|
| SMILES | C1CCCC(CCC1)N=C=S |
Product Overview
Cyclooctyl isothiocyanate (CAS 33522-04-2), with molecular formula C9H15NS and molecular weight 169.09 g/mol. IUPAC: isothiocyanatocyclooctane.
Chemical Property Profile of Cyclooctyl isothiocyanate
Property Insights of Cyclooctyl isothiocyanate
The XLogP value of 3.2021 indicates that Cyclooctyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, Cyclooctyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclooctyl 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
Frequently Asked Questions
What is the CAS number of Cyclooctyl isothiocyanate?
The CAS number of Cyclooctyl isothiocyanate is 33522-04-2.
What is the molecular formula of Cyclooctyl isothiocyanate?
The molecular formula of Cyclooctyl isothiocyanate is C9H15NS.
What is the molecular weight of Cyclooctyl isothiocyanate?
The molecular weight of Cyclooctyl isothiocyanate is 169.09 g/mol.
Where can I buy Cyclooctyl isothiocyanate?
You can request a quote for Cyclooctyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclooctyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Cyclooctyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.