4-(Trifluoromethoxy)thiobenzamide
TL;DR: 4-(Trifluoromethoxy)thiobenzamide (CAS 149169-34-6) is a chemical compound with molecular formula C8H6F3NOS and molecular weight 221.01222 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(trifluoromethoxy)benzenecarbothioamide
Also Known As: 4-(Trifluoromethoxy)thiobenzamide, 4-(trifluoromethoxy)benzenecarbothioamide, 4-(Trifluoromethoxy)benzothioamide, 4- THIOBENZAMIDE, 4-trifluoromethoxy-thiobenzamide
Technical Specifications
| Molecular Formula | C8H6F3NOS |
| Molecular Weight | 221.01222 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 67.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.01222 Da |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
| SMILES | C1=CC(=CC=C1C(=S)N)OC(F)(F)F |
| InChIKey | GHQSKHMIUWHKHO-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Trifluoromethoxy)thiobenzamide
Property Insights of 4-(Trifluoromethoxy)thiobenzamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trifluoromethoxy)thiobenzamide. The TPSA of 67.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Trifluoromethoxy)thiobenzamide. Following Lipinski's Rule of Five, 4-(Trifluoromethoxy)thiobenzamide 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 4-(Trifluoromethoxy)thiobenzamide?
The CAS number of 4-(Trifluoromethoxy)thiobenzamide is 149169-34-6.
What is the molecular formula of 4-(Trifluoromethoxy)thiobenzamide?
The molecular formula of 4-(Trifluoromethoxy)thiobenzamide is C8H6F3NOS.
What is the molecular weight of 4-(Trifluoromethoxy)thiobenzamide?
The molecular weight of 4-(Trifluoromethoxy)thiobenzamide is 221.01222 g/mol.
Where can I buy 4-(Trifluoromethoxy)thiobenzamide?
You can request a quote for 4-(Trifluoromethoxy)thiobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Trifluoromethoxy)thiobenzamide?
Yes, CoreyChem provides custom synthesis services for 4-(Trifluoromethoxy)thiobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.