2-(4-Fluorophenyl)-3-thioxohexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-1-one CAS 58744-68-6
| CAS No. | 58744-68-6 |
| Molecular Formula | C12H12FN3OS |
| Molecular Weight | 265.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution, 2-(4-Fluorophenyl)-3-thioxohexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-1-one is typically pale yellow to yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 265.31 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
CATO supplies 2-(4-Fluorophenyl)-3-thioxohexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-1-one (CAS 58744-68-6), a certified reference material (molecular formula C12H12FN3OS, MW 265.31 g/mol) for analytical method development and quality control.
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 | C12H12FN3OS |
| Molecular Weight | 265.31 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1973 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Fluorophenyl Standards
- 2-{[5-(4-fluorophenyl)-1h-imidazol-2-yl]sulfanyl}propanamide (CAS 1118821-68-3)
- 1-{[1-(2-fluorophenyl)-1h-pyrazol-4-yl]sulfanyl}-N,N-dimethylformamide (CAS 1354959-67-3)
- n-(4-Fluorophenyl)-2-((1-methyl-1h-imidazol-2-yl)thio)acetamide (CAS 270086-74-3)
- 2-(2-(4-Fluorophenyl)thiazol-4-yl)-2-methylpropanoic acid (CAS 1268077-02-6)
- Ethyl 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate (CAS 1481554-79-3)
- Ethyl 2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate (CAS 1544942-68-8)
- Ethyl 2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxylate (CAS 1558527-95-9)
- Ethyl 2-(2-fluorophenyl)-5-methylthiazole-4-carboxylate (CAS 1715248-06-8)
Recommended Standards
- 2-(4-Ethoxyphenyl)-1H-indole-3-carbaldehyde (CAS 590390-81-1)
- 2-(4-Hydroxyphenethyl)quinolin-8-ol (CAS 648896-76-8)
- 2-(4'-Amino-[1,1'-biphenyl]-4-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one (CAS 679406-21-4)
- 2-(4-Isopropylphenyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde (CAS 891765-56-3)
- 4-Chloro-5-(2-methoxyethyl)-2-(pyrrolidin-1-yl)pyrimidine (CAS 1403567-88-3)
- 2-(1,3-dithiolan-2-ylidene)acetonitrile (CAS 91357-46-9)
- 4-Chloro-5-(4-nitrophenyl)nicotinonitrile (CAS 1436405-49-0)
- 2-(Benzyloxy)-3-bromo-5-iodopyridine (CAS 1361342-88-2)
- 1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethan-1-one (CAS 1211510-76-7)
- Edoxaban Impurity 6 (CAS CATO-C4X-10636)
- S-Acetyl-PEG8-OH (CAS 1334177-81-9)
- (3-Methylisoxazol-4-yl)methanol (CAS 100367-83-7)
- 5-Chloro-6-methylpyridin-2-ol (CAS 103997-23-5)
- Tirzepatide Impurity 18 (CAS CATO-C4X-324018)
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