2-(4-Chlorophenyl)-2-oxoethyl thiocyanate
TL;DR: 2-(4-Chlorophenyl)-2-oxoethyl thiocyanate (CAS 19339-59-4) is a chemical compound with molecular formula C9H6ClNOS and molecular weight 210.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-2-oxoethyl] thiocyanate
Also Known As: 4-chlorophenacyl thiocyanate, 2-(4-Chlorophenyl)-2-oxoethyl thiocyanate, 1-(4-chlorophenyl)-2-thiocyanatoethanone, BRYOPOGONICACID, Cyto5H8
| Molecular Formula | C9H6ClNOS |
|---|---|
| Molecular Weight | 210.99 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.98586 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 19339-59-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CSC#N)Cl |
| InChIKey | JSIQRJQKMVTGJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Chlorophenyl)-2-oxoethyl thiocyanate (CAS 19339-59-4), with molecular formula C9H6ClNOS and molecular weight 210.99 g/mol. IUPAC: [2-(4-chlorophenyl)-2-oxoethyl] thiocyanate.
Chemical Property Profile of 2-(4-Chlorophenyl)-2-oxoethyl thiocyanate
Property Insights of 2-(4-Chlorophenyl)-2-oxoethyl thiocyanate
The XLogP value of 3.0 indicates that 2-(4-Chlorophenyl)-2-oxoethyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chlorophenyl)-2-oxoethyl thiocyanate. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-2-oxoethyl thiocyanate has 0 hydrogen bond donor(s) and 3 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-(4-Chlorophenyl)-2-oxoethyl thiocyanate?
The CAS number of 2-(4-Chlorophenyl)-2-oxoethyl thiocyanate is 19339-59-4.
What is the molecular formula of 2-(4-Chlorophenyl)-2-oxoethyl thiocyanate?
The molecular formula of 2-(4-Chlorophenyl)-2-oxoethyl thiocyanate is C9H6ClNOS.
What is the molecular weight of 2-(4-Chlorophenyl)-2-oxoethyl thiocyanate?
The molecular weight of 2-(4-Chlorophenyl)-2-oxoethyl thiocyanate is 210.99 g/mol.
Where can I buy 2-(4-Chlorophenyl)-2-oxoethyl thiocyanate?
You can request a quote for 2-(4-Chlorophenyl)-2-oxoethyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-2-oxoethyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-2-oxoethyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.