2-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-(4-methoxyphenyl)ethanone CAS 477329-63-8
| CAS No. | 477329-63-8 |
| Molecular Formula | C18H15FN2O2S3 |
| Molecular Weight | 406.52 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-(4-methoxyphenyl)ethanone.
2-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-(4-methoxyphenyl)ethanone (CAS 477329-63-8), molecular formula C18H15FN2O2S3 and molecular weight 406.52 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-(4-methoxyphenyl)ethanone (C18H15FN2O2S3) contains a steroid core, an amide group, a sulfone group, 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 406.52 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), 2-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-1-(4-methoxyphenyl)ethanone meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C18H15FN2O2S3 |
| Molecular Weight | 406.52 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| 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
- 2-((3-Fluorobenzyl)sulfonyl)-1-methyl-4,5-diphenyl-1H-imidazole (CAS 338957-03-2)
- 2-((4-Fluorobenzyl)sulfonyl)-1-methyl-4,5-diphenyl-1H-imidazole (CAS 339277-77-9)
- 5-((2-Fluorobenzyl)oxy)-2-(4-(3-methoxyphenoxy)-1H-pyrazol-3-yl)phenol (CAS 1009191-62-1)
- 3-(4-Ethyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1-phenylpyridazin-4(1H)-one (CAS 478063-61-5)
- 2-(4-Fluorobenzyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid (CAS 281205-72-9)
- 2-(4-(3-Fluorobenzyl)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonyl)benzoic acid (CAS 439107-43-4)
- 2-((4-Fluorobenzyl)thio)-1-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazole (CAS 1207001-23-7)
- 3-(5-((3-Fluorobenzyl)thio)-4-hexyl-4H-1,2,4-triazol-3-yl)-1H-indole (CAS 568560-96-3)
Recommended Standards
- 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide (CAS 578004-41-8)
- 2-Ethyl-9,10-bis(phenylethynyl)anthracene (CAS 53158-83-1)
- 11-(3-Methoxy-4-propoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 337503-12-5)
- 3-(2-Methoxyethyl)-2-methyl-5-phenylbenzo[d]oxazol-3-ium 4-methylbenzenesulfonate (CAS 63979-86-2)
- (3-Iodobutyl)benzene (CAS 59456-20-1)
- 4-(2,5-Dimethyl-phenyl)-2H-phthalazin-1-one (CAS 93517-76-1)
- 2-ethyl-6-fluoro-1,4-dihydroquinolin-4-one (CAS 135077-31-5)
- 2-Cyanobenzo[b]thiophene-3-sulfonyl fluoride (CAS 1334626-70-8)
- 5-(4-Methoxyphenyl)-1,3,4-thiadiazol-2-amine (CAS 1014-25-1)
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- 4-(Prop-2-en-1-yloxy)butanoic acid (CAS 44958-10-3)
- 5-cyclobutyl-1-methyl-1H-pyrazole-4-carboxylic acid hydrochloride (CAS 1909326-05-1)
- Alpha-methyl-alpha-phenyl-1h-imidazole-2-methanol (CAS 127782-66-5)
- Galanin-Like Peptide (human) trifluoroacetate salt (CAS 245114-99-2)
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