3-(4-Fluorophenyl)-4-((4-(methylthio)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione CAS 764655-45-0
| CAS No. | 764655-45-0 |
| Molecular Formula | C16H13FN4S2 |
| Molecular Weight | 344.43 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 3-(4-Fluorophenyl)-4-((4-(methylthio)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione.
3-(4-Fluorophenyl)-4-((4-(methylthio)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione (CAS 764655-45-0), molecular formula C16H13FN4S2 and molecular weight 344.43 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(4-Fluorophenyl)-4-((4-(methylthio)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione (C16H13FN4S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, 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 344.43 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 3-(4-Fluorophenyl)-4-((4-(methylthio)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione 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 | C16H13FN4S2 |
| Molecular Weight | 344.43 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.) | 1986 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
Related Fluorophenyl Standards
- 2-[(4-Fluorophenyl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CAS 338957-83-8)
- 3-(2-Fluorophenyl)-4-((4-(methylthio)benzylidene)amino)-1H-1,2,4-triazole-5(4H)-thione (CAS 578720-77-1)
- 3-{[(4-fluorophenyl)sulfanyl]methyl}-2H,3H,5H-[1,3]thiazolo[2,3-b]quinazolin-5-one (CAS 477855-97-3)
- N-(4-(4-fluorophenyl)thiazol-2-yl)-2-(phenylthio)acetamide (CAS 338957-71-4)
- N′-[3-(3-fluorophenyl)-2-(2-oxo-1-imidazolidinyl)propyl]-N,N-dimethylsulfamide (CAS 1421458-72-1)
- 3-(2-Fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-(thiophen-2-yl)ethyl)urea (CAS 1421515-17-4)
- 4-(3-Fluorophenyl)-2,2-dimethyl-5-(4-(methylsulfinyl)phenyl)furan-3(2H)-one (CAS 301693-70-9)
- 1-(2-Fluorophenyl)-3-(2-((5-(pyrrolidin-1-yl)pyridazin-3-yl)amino)ethyl)urea (CAS 1796964-28-7)
Recommended Standards
- 3-(4-Methoxyphenyl)-1-(methylsulfonyl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazole (CAS 384349-48-8)
- 2-Oxo-2-((3-phenylpropyl)amino)ethyl 2-(methylthio)nicotinate (CAS 728905-91-7)
- 3-(5-(Benzylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine (CAS 500119-14-2)
- 2-{thieno[2,3-b]quinoline-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline (CAS 439111-80-5)
- 1-Bromo-2-isopropoxy-3-methoxybenzene (CAS 442200-49-9)
- 6-Butoxy-1-butyl-2-methylbenzo[cd]indol-1-ium tetrafluoroborate (CAS 1135933-84-4)
- N4-Methylcytidine (CAS 10578-79-7)
- tert-butyl 2-aminobenzoate (CAS 64113-91-3)
- 2-{[(propan-2-yl)amino]methyl}-3,4-dihydroquinazolin-4-one (CAS 900640-66-6)
- 2-(tert-Butyl)-5-cyclopropoxy-N-methylisonicotinamide (CAS 1243480-28-5)
- n-(4-Acetamidophenyl)-3-methylbutanamide (CAS 349574-58-9)
- Ethyl 5-amino-2,4-dimethylbenzoate (CAS 791722-05-9)
- N-(2-Methoxyphenyl)morpholine-3-carboxamide (CAS 1491277-77-0)
- Cycloaspeptide A (CAS 109171-13-3)
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