2-(4-Chlorophenyl)-1-cyanoethyl thiocyanate
TL;DR: 2-(4-Chlorophenyl)-1-cyanoethyl thiocyanate (CAS 72132-58-2) is a chemical compound with molecular formula C10H7ClN2S and molecular weight 222.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-1-cyanoethyl] thiocyanate
Also Known As: 2-(4-chlorophenyl)-1-cyanoethyl thiocyanate, [2-(4-chlorophenyl)-1-cyanoethyl] thiocyanate, 3-(4-chlorophenyl)-2-(cyanosulfanyl)propanenitrile, 3-(4-chlorophenyl)-2-cyanothiopropanenitrile, 3-(4-chlorophenyl)-2-thiocyanatopropanenitrile
| Molecular Formula | C10H7ClN2S |
|---|---|
| Molecular Weight | 222.00 g/mol |
| LogP | 2.98896 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.00185 |
| Heavy Atoms | 14 |
| Complexity | 374.59384 |
Chemical Identifiers
| CAS Number | 72132-58-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C#N)SC#N)Cl |
Product Overview
2-(4-Chlorophenyl)-1-cyanoethyl thiocyanate (CAS 72132-58-2), with molecular formula C10H7ClN2S and molecular weight 222.00 g/mol. IUPAC: [2-(4-chlorophenyl)-1-cyanoethyl] thiocyanate.
Chemical Property Profile of 2-(4-Chlorophenyl)-1-cyanoethyl thiocyanate
Property Insights of 2-(4-Chlorophenyl)-1-cyanoethyl thiocyanate
The XLogP value of 2.98896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)-1-cyanoethyl thiocyanate. With a topological polar surface area (TPSA) of 47.58 Ų, 2-(4-Chlorophenyl)-1-cyanoethyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-1-cyanoethyl 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)-1-cyanoethyl thiocyanate?
The CAS number of 2-(4-Chlorophenyl)-1-cyanoethyl thiocyanate is 72132-58-2.
What is the molecular formula of 2-(4-Chlorophenyl)-1-cyanoethyl thiocyanate?
The molecular formula of 2-(4-Chlorophenyl)-1-cyanoethyl thiocyanate is C10H7ClN2S.
What is the molecular weight of 2-(4-Chlorophenyl)-1-cyanoethyl thiocyanate?
The molecular weight of 2-(4-Chlorophenyl)-1-cyanoethyl thiocyanate is 222.00 g/mol.
Where can I buy 2-(4-Chlorophenyl)-1-cyanoethyl thiocyanate?
You can request a quote for 2-(4-Chlorophenyl)-1-cyanoethyl 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)-1-cyanoethyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-1-cyanoethyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.