![3-Chloro-4-[(chloroacetyl)amino]phenyl thiocyanate structure](/static/products/3082/3082-23-3.webp)
3-Chloro-4-[(chloroacetyl)amino]phenyl thiocyanate
TL;DR: 3-Chloro-4-[(chloroacetyl)amino]phenyl thiocyanate (CAS 3082-23-3) is a chemical compound with molecular formula C9H6Cl2N2OS and molecular weight 259.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-chloro-4-[(2-chloroacetyl)amino]phenyl] thiocyanate
Also Known As: 3-chloro-4-[(chloroacetyl)amino]phenyl thiocyanate, 2-chloro-N-[2-chloro-4-(cyanosulfanyl)phenyl]acetamide, 2,4-DIMETHOXYBENZALDOXIME, 2-Chloro-N-(2-chloro-4-thiocyanatophenyl)acetamide, [3-chloro-4-[(2-chloroacetyl)amino]phenyl] thiocyanate
| Molecular Formula | C9H6Cl2N2OS |
|---|---|
| Molecular Weight | 259.96 g/mol |
| LogP | 3.09048 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.9578 |
| Heavy Atoms | 15 |
| Complexity | 417.06363 |
Chemical Identifiers
| CAS Number | 3082-23-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1SC#N)Cl)NC(=O)CCl |
Product Overview
3-Chloro-4-[(chloroacetyl)amino]phenyl thiocyanate (CAS 3082-23-3), with molecular formula C9H6Cl2N2OS and molecular weight 259.96 g/mol. IUPAC: [3-chloro-4-[(2-chloroacetyl)amino]phenyl] thiocyanate.
Chemical Property Profile of 3-Chloro-4-[(chloroacetyl)amino]phenyl thiocyanate
Property Insights of 3-Chloro-4-[(chloroacetyl)amino]phenyl thiocyanate
The XLogP value of 3.09048 indicates that 3-Chloro-4-[(chloroacetyl)amino]phenyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 3-Chloro-4-[(chloroacetyl)amino]phenyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-[(chloroacetyl)amino]phenyl thiocyanate has 1 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 3-Chloro-4-[(chloroacetyl)amino]phenyl thiocyanate?
The CAS number of 3-Chloro-4-[(chloroacetyl)amino]phenyl thiocyanate is 3082-23-3.
What is the molecular formula of 3-Chloro-4-[(chloroacetyl)amino]phenyl thiocyanate?
The molecular formula of 3-Chloro-4-[(chloroacetyl)amino]phenyl thiocyanate is C9H6Cl2N2OS.
What is the molecular weight of 3-Chloro-4-[(chloroacetyl)amino]phenyl thiocyanate?
The molecular weight of 3-Chloro-4-[(chloroacetyl)amino]phenyl thiocyanate is 259.96 g/mol.
Where can I buy 3-Chloro-4-[(chloroacetyl)amino]phenyl thiocyanate?
You can request a quote for 3-Chloro-4-[(chloroacetyl)amino]phenyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-[(chloroacetyl)amino]phenyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-[(chloroacetyl)amino]phenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.