Decyl thiocyanate
TL;DR: Decyl thiocyanate (CAS 5349-20-2) is a chemical compound with molecular formula C11H21NS and molecular weight 199.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl thiocyanate
Also Known As: Decyl thiocyanate, Decylthiocyanate, Decylthiokyanat, Thiocyanic acid, decyl ester, 1-thiocyanatodecane
| Molecular Formula | C11H21NS |
|---|---|
| Molecular Weight | 199.14 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 199.13947 |
| Heavy Atoms | 13 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 5349-20-2 |
|---|---|
| SMILES | CCCCCCCCCCSC#N |
| InChIKey | SSHHEEVAWJSEPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decyl thiocyanate (CAS 5349-20-2), with molecular formula C11H21NS and molecular weight 199.14 g/mol. IUPAC: decyl thiocyanate.
Chemical Property Profile of Decyl thiocyanate
Property Insights of Decyl thiocyanate
The XLogP value of 5.4 indicates that Decyl 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, Decyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decyl thiocyanate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decyl thiocyanate?
The CAS number of Decyl thiocyanate is 5349-20-2.
What is the molecular formula of Decyl thiocyanate?
The molecular formula of Decyl thiocyanate is C11H21NS.
What is the molecular weight of Decyl thiocyanate?
The molecular weight of Decyl thiocyanate is 199.14 g/mol.
Where can I buy Decyl thiocyanate?
You can request a quote for Decyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Decyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.