Nonyl thiocyanatoacetate
TL;DR: Nonyl thiocyanatoacetate (CAS 6051-53-2) is a chemical compound with molecular formula C12H21NO2S and molecular weight 243.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nonyl 2-thiocyanatoacetate
Also Known As: nonyl thiocyanatoacetate, nonyl 2-thiocyanatoacetate, Nonyl (thiocyanato)acetate, Acetic acid,2-thiocyanato-, nonyl ester, Acetic acid,2-thiocyanato-,nonyl ester
| Molecular Formula | C12H21NO2S |
|---|---|
| Molecular Weight | 243.13 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 243.1293 |
| Heavy Atoms | 16 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 6051-53-2 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)CSC#N |
| InChIKey | SIHOUGOBKTZDCZ-UHFFFAOYSA-N |
Product Overview
Nonyl thiocyanatoacetate (CAS 6051-53-2), with molecular formula C12H21NO2S and molecular weight 243.13 g/mol. IUPAC: nonyl 2-thiocyanatoacetate.
Chemical Property Profile of Nonyl thiocyanatoacetate
Property Insights of Nonyl thiocyanatoacetate
The XLogP value of 4.8 indicates that Nonyl thiocyanatoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Nonyl thiocyanatoacetate. Following Lipinski's Rule of Five, Nonyl thiocyanatoacetate has 0 hydrogen bond donor(s) and 4 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 Nonyl thiocyanatoacetate?
The CAS number of Nonyl thiocyanatoacetate is 6051-53-2.
What is the molecular formula of Nonyl thiocyanatoacetate?
The molecular formula of Nonyl thiocyanatoacetate is C12H21NO2S.
What is the molecular weight of Nonyl thiocyanatoacetate?
The molecular weight of Nonyl thiocyanatoacetate is 243.13 g/mol.
Where can I buy Nonyl thiocyanatoacetate?
You can request a quote for Nonyl thiocyanatoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonyl thiocyanatoacetate?
Yes, KEHONG BIO provides custom synthesis services for Nonyl thiocyanatoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.