![4-[(Trifluoroacetyl)amino]phenyl thiocyanate structure](/static/products/445/445415-27-0.png)
4-[(Trifluoroacetyl)amino]phenyl thiocyanate
TL;DR: 4-[(Trifluoroacetyl)amino]phenyl thiocyanate (CAS 445415-27-0) is a chemical compound with molecular formula C9H5F3N2OS and molecular weight 246.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2,2,2-trifluoroacetyl)amino]phenyl] thiocyanate
Also Known As: 4-[(trifluoroacetyl)amino]phenyl thiocyanate, [4-[(2,2,2-trifluoroacetyl)amino]phenyl] thiocyanate, AN-465/40934908
| Molecular Formula | C9H5F3N2OS |
|---|---|
| Molecular Weight | 246.01 g/mol |
| LogP | 2.76058 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.00746 |
| Heavy Atoms | 16 |
| Complexity | 421.86563 |
Chemical Identifiers
| CAS Number | 445415-27-0 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C(F)(F)F)SC#N |
Product Overview
4-[(Trifluoroacetyl)amino]phenyl thiocyanate (CAS 445415-27-0), with molecular formula C9H5F3N2OS and molecular weight 246.01 g/mol. IUPAC: [4-[(2,2,2-trifluoroacetyl)amino]phenyl] thiocyanate.
Chemical Property Profile of 4-[(Trifluoroacetyl)amino]phenyl thiocyanate
Property Insights of 4-[(Trifluoroacetyl)amino]phenyl thiocyanate
The XLogP value of 2.76058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(Trifluoroacetyl)amino]phenyl thiocyanate. With a topological polar surface area (TPSA) of 52.89 Ų, 4-[(Trifluoroacetyl)amino]phenyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(Trifluoroacetyl)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 4-[(Trifluoroacetyl)amino]phenyl thiocyanate?
The CAS number of 4-[(Trifluoroacetyl)amino]phenyl thiocyanate is 445415-27-0.
What is the molecular formula of 4-[(Trifluoroacetyl)amino]phenyl thiocyanate?
The molecular formula of 4-[(Trifluoroacetyl)amino]phenyl thiocyanate is C9H5F3N2OS.
What is the molecular weight of 4-[(Trifluoroacetyl)amino]phenyl thiocyanate?
The molecular weight of 4-[(Trifluoroacetyl)amino]phenyl thiocyanate is 246.01 g/mol.
Where can I buy 4-[(Trifluoroacetyl)amino]phenyl thiocyanate?
You can request a quote for 4-[(Trifluoroacetyl)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 4-[(Trifluoroacetyl)amino]phenyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Trifluoroacetyl)amino]phenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.