2-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-(4-fluorophenyl)ethanone CAS 477330-25-9
| CAS No. | 477330-25-9 |
| Molecular Formula | C17H12F2N2OS3 |
| Molecular Weight | 394.48 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-(4-fluorophenyl)ethanone is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 2-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-(4-fluorophenyl)ethanone (CAS 477330-25-9), a certified reference material (molecular formula C17H12F2N2OS3, MW 394.48 g/mol) for analytical method development and quality control.
Structurally, 2-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-(4-fluorophenyl)ethanone (C17H12F2N2OS3) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 394.48 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C17H12F2N2OS3 |
| Molecular Weight | 394.48 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 3 |
Related Fluorobenzyl Standards
- 5-(4-((4-Fluorobenzyl)oxy)phenyl)-N-(4-fluorophenyl)thiazol-2-amine (CAS 297150-36-8)
- 2-((4-Fluorobenzyl)thio)-5-(thieno[2,3-b]quinolin-2-yl)-1,3,4-oxadiazole (CAS 692737-18-1)
- (4-(4-Fluorobenzyl)-4-hydroxypiperidin-1-yl)(2-(pyrimidin-4-yl)pyridin-3-yl)methanone (CAS 1429505-54-3)
- 4-(4-Fluorobenzyl)-3-((3-methoxybenzyl)thio)-5-(trifluoromethyl)-4H-1,2,4-triazole (CAS 294853-33-1)
- 2-[4-(4-Fluorobenzyl)-1-piperidinyl]-2-oxo-N-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)acetamide (CAS 496054-87-6)
- 2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-(pyridin-4-yl)pyrimidin-4-amine (CAS 402595-29-3)
- (4-((4-Fluorobenzyl)oxy)-1-(4-fluorophenyl)-1H-pyrazol-3-yl)(piperidin-1-yl)methanone (CAS 1185099-03-9)
- 5-(2-Fluorobenzyl)-3-(4-methoxyphenyl)-8-methyl-5H-pyrazolo[4,3-c]quinoline (CAS 866809-58-7)
Recommended Standards
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