((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl thiocyanate
TL;DR: ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl thiocyanate (CAS 134880-87-8) is a chemical compound with molecular formula C15H5ClF9N3OS2 and molecular weight 512.9419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[3,5-bis(trifluoromethyl)benzoyl]-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl thiocyanate
Also Known As: ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl thiocyanate, [[3,5-bis(trifluoromethyl)benzoyl]-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl thiocyanate, {N-[5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,5-bis(trifluoromethyl)benzamido}methyl thiocyanate
Technical Specifications
| Molecular Formula | C15H5ClF9N3OS2 |
| Molecular Weight | 512.9419 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 512.9419 Da |
| Heavy Atoms | 31 |
| Complexity | 687.0 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)N(CSC#N)C2=NC(=C(S2)Cl)C(F)(F)F |
| InChIKey | CPFUPBBFCAUMHN-UHFFFAOYSA-N |
Chemical Property Profile of ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl thiocyanate
Property Insights of ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl thiocyanate
The XLogP value of 6.8 indicates that ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl thiocyanate. Following Lipinski's Rule of Five, ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl thiocyanate has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl thiocyanate?
The CAS number of ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl thiocyanate is 134880-87-8.
What is the molecular formula of ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl thiocyanate?
The molecular formula of ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl thiocyanate is C15H5ClF9N3OS2.
What is the molecular weight of ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl thiocyanate?
The molecular weight of ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl thiocyanate is 512.9419 g/mol.
Where can I buy ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl thiocyanate?
You can request a quote for ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl thiocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl thiocyanate?
Yes, CoreyChem provides custom synthesis services for ((3,5-Bis(trifluoromethyl)benzoyl)-(5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)amino)methyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.