![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 426.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C17H9F3N2O4S2 |
|---|---|
| Molecular Weight | 426.00 g/mol |
| LogP | 4.8947 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.99557 |
| Heavy Atoms | 28 |
| Complexity | 1021.70233 |
Chemical Identifiers
| CAS Number | 1055978-70-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C=C3C(=O)NC(=S)S3 |
Product Overview
5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one (CAS 1055978-70-5), with molecular formula C17H9F3N2O4S2 and molecular weight 426.00 g/mol. IUPAC: 5-[[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
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 4.8947 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 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one. 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 6 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 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 426.00 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((Z)-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolan-4-one?
Yes, KEHONG BIO 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.