Trifluoromethylthiocyanate
TL;DR: Trifluoromethylthiocyanate (CAS 690-24-4) is a chemical compound with molecular formula C2F3NS and molecular weight 126.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trifluoromethyl thiocyanate
Also Known As: Trifluoromethylthiocyanate, trifluoromethyl thiocyanate, Thiocyanic acid, trifluoromethyl ester
| Molecular Formula | C2F3NS |
|---|---|
| Molecular Weight | 126.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.97035 |
| Heavy Atoms | 7 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 690-24-4 |
|---|---|
| SMILES | C(#N)SC(F)(F)F |
| InChIKey | IWJODGXJDSWIHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trifluoromethylthiocyanate (CAS 690-24-4), with molecular formula C2F3NS and molecular weight 126.97 g/mol. IUPAC: trifluoromethyl thiocyanate.
Chemical Property Profile of Trifluoromethylthiocyanate
Property Insights of Trifluoromethylthiocyanate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trifluoromethylthiocyanate. With a topological polar surface area (TPSA) of 49.1 Ų, Trifluoromethylthiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluoromethylthiocyanate 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 Trifluoromethylthiocyanate?
The CAS number of Trifluoromethylthiocyanate is 690-24-4.
What is the molecular formula of Trifluoromethylthiocyanate?
The molecular formula of Trifluoromethylthiocyanate is C2F3NS.
What is the molecular weight of Trifluoromethylthiocyanate?
The molecular weight of Trifluoromethylthiocyanate is 126.97 g/mol.
Where can I buy Trifluoromethylthiocyanate?
You can request a quote for Trifluoromethylthiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluoromethylthiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Trifluoromethylthiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.