1-Cyano-2-(2,5-dichlorophenyl)ethyl thiocyanate
TL;DR: 1-Cyano-2-(2,5-dichlorophenyl)ethyl thiocyanate (CAS 852933-24-5) is a chemical compound with molecular formula C10H6Cl2N2S and molecular weight 255.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-cyano-2-(2,5-dichlorophenyl)ethyl] thiocyanate
Also Known As: 1-cyano-2-(2,5-dichlorophenyl)ethyl thiocyanate, [1-cyano-2-(2,5-dichlorophenyl)ethyl] thiocyanate, 3-(2,5-dichlorophenyl)-2-thiocyanatopropanenitrile, 3-(2,5-dichlorophenyl)-2-cyanothiopropanenitrile, AS-871/43478512
| Molecular Formula | C10H6Cl2N2S |
|---|---|
| Molecular Weight | 255.96 g/mol |
| LogP | 3.64236 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.96288 |
| Heavy Atoms | 15 |
| Complexity | 434.02902 |
Chemical Identifiers
| CAS Number | 852933-24-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)CC(C#N)SC#N)Cl |
Product Overview
1-Cyano-2-(2,5-dichlorophenyl)ethyl thiocyanate (CAS 852933-24-5), with molecular formula C10H6Cl2N2S and molecular weight 255.96 g/mol. IUPAC: [1-cyano-2-(2,5-dichlorophenyl)ethyl] thiocyanate.
Chemical Property Profile of 1-Cyano-2-(2,5-dichlorophenyl)ethyl thiocyanate
Property Insights of 1-Cyano-2-(2,5-dichlorophenyl)ethyl thiocyanate
The XLogP value of 3.64236 indicates that 1-Cyano-2-(2,5-dichlorophenyl)ethyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, 1-Cyano-2-(2,5-dichlorophenyl)ethyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyano-2-(2,5-dichlorophenyl)ethyl 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 1-Cyano-2-(2,5-dichlorophenyl)ethyl thiocyanate?
The CAS number of 1-Cyano-2-(2,5-dichlorophenyl)ethyl thiocyanate is 852933-24-5.
What is the molecular formula of 1-Cyano-2-(2,5-dichlorophenyl)ethyl thiocyanate?
The molecular formula of 1-Cyano-2-(2,5-dichlorophenyl)ethyl thiocyanate is C10H6Cl2N2S.
What is the molecular weight of 1-Cyano-2-(2,5-dichlorophenyl)ethyl thiocyanate?
The molecular weight of 1-Cyano-2-(2,5-dichlorophenyl)ethyl thiocyanate is 255.96 g/mol.
Where can I buy 1-Cyano-2-(2,5-dichlorophenyl)ethyl thiocyanate?
You can request a quote for 1-Cyano-2-(2,5-dichlorophenyl)ethyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyano-2-(2,5-dichlorophenyl)ethyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-2-(2,5-dichlorophenyl)ethyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.