![5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one structure](/static/products/1055/1055978-70-5.webp)
5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one
TL;DR: 5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one (CAS 1055978-70-5) is a chemical compound with molecular formula C17H9F3N2O4S2 and molecular weight 425.99557 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one, 5-[[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Technical Specifications
| Molecular Formula | C17H9F3N2O4S2 |
| Molecular Weight | 425.99557 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.99557 Da |
| Heavy Atoms | 28 |
| Complexity | 680.0 |
| SMILES | C1=CC(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C=C3C(=O)NC(=S)S3 |
| InChIKey | OPYQBYGZNMVQLE-UHFFFAOYSA-N |
Chemical Property Profile of 5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one
Property Insights of 5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one
The XLogP value of 5.0 indicates that 5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting 5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one?
The CAS number of 5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one is 1055978-70-5.
What is the molecular formula of 5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one?
The molecular formula of 5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one is C17H9F3N2O4S2.
What is the molecular weight of 5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one?
The molecular weight of 5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one is 425.99557 g/mol.
Where can I buy 5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one?
You can request a quote for 5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one?
Yes, CoreyChem provides custom synthesis services for 5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.