![N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide structure](/static/products/2825/282542-08-9.webp)
N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide
TL;DR: N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide (CAS 282542-08-9) is a chemical compound with molecular formula C12H12ClF3N2OS and molecular weight 324.0311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide
Also Known As: N-[2-Chloro-5-(trifluoromethyl)phenyl]-4-morpholinecarbothioamide, N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide
Technical Specifications
| Molecular Formula | C12H12ClF3N2OS |
| Molecular Weight | 324.0311 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 56.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.0311 Da |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
| SMILES | C1COCCN1C(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl |
| InChIKey | QKELMBWAFRJLMF-UHFFFAOYSA-N |
Chemical Property Profile of N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide
Property Insights of N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide. With a topological polar surface area (TPSA) of 56.6 Ų, N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide?
The CAS number of N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide is 282542-08-9.
What is the molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide?
The molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide is C12H12ClF3N2OS.
What is the molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide?
The molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide is 324.0311 g/mol.
Where can I buy N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide?
You can request a quote for N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide?
Yes, CoreyChem provides custom synthesis services for N-[2-chloro-5-(trifluoromethyl)phenyl]morpholine-4-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.