4-(Trifluoromethyl)phenyl thiocyanate
TL;DR: 4-(Trifluoromethyl)phenyl thiocyanate (CAS 90348-21-3) is a chemical compound with molecular formula C8H4F3NS and molecular weight 203.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(trifluoromethyl)phenyl] thiocyanate
Also Known As: 4-(Trifluoromethyl)phenyl thiocyanate, p-Trifluoromethylphenylisothiocyanate, [4-(trifluoromethyl)phenyl] thiocyanate, (p-(Trifluoromethyl)phenyl) thiocyanate, 4-(Trifluoromethyl)phenyl thiocyanate #
| Molecular Formula | C8H4F3NS |
|---|---|
| Molecular Weight | 203.00 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.00165 |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 90348-21-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)SC#N |
| InChIKey | WRBJDWSTNUOWMF-UHFFFAOYSA-N |
Product Overview
4-(Trifluoromethyl)phenyl thiocyanate (CAS 90348-21-3), with molecular formula C8H4F3NS and molecular weight 203.00 g/mol. IUPAC: [4-(trifluoromethyl)phenyl] thiocyanate.
Chemical Property Profile of 4-(Trifluoromethyl)phenyl thiocyanate
Property Insights of 4-(Trifluoromethyl)phenyl thiocyanate
The XLogP value of 3.4 indicates that 4-(Trifluoromethyl)phenyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, 4-(Trifluoromethyl)phenyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethyl)phenyl thiocyanate has 0 hydrogen bond donor(s) and 5 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-(Trifluoromethyl)phenyl thiocyanate?
The CAS number of 4-(Trifluoromethyl)phenyl thiocyanate is 90348-21-3.
What is the molecular formula of 4-(Trifluoromethyl)phenyl thiocyanate?
The molecular formula of 4-(Trifluoromethyl)phenyl thiocyanate is C8H4F3NS.
What is the molecular weight of 4-(Trifluoromethyl)phenyl thiocyanate?
The molecular weight of 4-(Trifluoromethyl)phenyl thiocyanate is 203.00 g/mol.
Where can I buy 4-(Trifluoromethyl)phenyl thiocyanate?
You can request a quote for 4-(Trifluoromethyl)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-(Trifluoromethyl)phenyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethyl)phenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.