4-(4-Fluorophenyl)-5-[(3-methylphenyl)sulfanyl]-1,2,3-thiadiazole CAS 338408-81-4
| CAS No. | 338408-81-4 |
| Molecular Formula | C15H11FN2S2 |
| Molecular Weight | 302.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(4-Fluorophenyl)-5-[(3-methylphenyl)sulfanyl]-1,2,3-thiadiazole is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-(4-Fluorophenyl)-5-[(3-methylphenyl)sulfanyl]-1,2,3-thiadiazole (CAS 338408-81-4), molecular formula C15H11FN2S2 and molecular weight 302.39 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-(4-Fluorophenyl)-5-[(3-methylphenyl)sulfanyl]-1,2,3-thiadiazole (C15H11FN2S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 302.39 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.
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 | C15H11FN2S2 |
| Molecular Weight | 302.39 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Fluorophenyl Standards
- 4-[(4-Fluorophenyl)sulfanyl]-2-(methylsulfanyl)quinazoline (CAS 477845-84-4)
- 1-(4-Fluorophenyl)-4-isopropyl-7-(methylthio)-1H-pyrazolo[3,4-d]pyridazine (CAS 1105202-75-2)
- (2-(4-Fluorophenyl)-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazol-3-yl)methanol (CAS 866009-44-1)
- 2-[[4-(4-Fluorophenyl)-4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl]thio]acetic acid (CAS 727704-74-7)
- 4-(4-Fluorophenyl)-5-(2-morpholinoethyl)pyrimidin-2-amine (CAS 861206-99-7)
- N-((4-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)methanesulfonamide (CAS 917747-35-4)
- (2E)-3-(4-Fluorophenyl)-1,2-diphenylprop-2-en-1-one (CAS 34236-68-5)
- 3-(2-Fluorophenyl)-4-(((5-methylfuran-2-yl)methylene)amino)-1H-1,2,4-triazole-5(4H)-thione (CAS 578734-03-9)
Recommended Standards
- 4-(1-Tosylpyrrolidin-2-yl)pyridine (CAS 298689-61-9)
- 4-(4-Methoxyphenoxy)-2-(methylsulfanyl)-5,6,7,8-tetrahydroquinazoline (CAS 303987-68-0)
- 3-((Diphenylmethylene)amino)-5-methylthiophene-2-carbonitrile (CAS 948015-48-3)
- 4-(5,6,7,8-Tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbaldehyde (CAS 370071-21-9)
- 4,4,5,5-Tetramethyl-2-(3-methylcyclohex-1-en-1-yl)-1,3,2-dioxaborolane (CAS 1046832-00-1)
- Crepenynic acid (CAS 2277-31-8)
- Methyl 3-(2H-1,3-benzodioxol-5-yl)-3-(2,5-dichlorobenzenesulfonamido)propanoate (CAS 866144-35-6)
- N-(4-Methylphenyl)tetrahydro-2H-pyran-4-aminehydrochloride (CAS 1158447-38-1)
- 2,2,3,3,3-Pentafluoro-propionamidineHCl (CAS 3799-21-1)
- (3,3-difluorocyclobutyl)methylhydrazine;dihydrochloride (CAS 1364632-66-5)
- 8-Amino-1H-benzo[c][1,2]thiazine 2,2-dioxide (CAS 211370-14-8)
- 5-(4-Chloro-2-methoxyphenyl)-5-oxovaleric acid (CAS 951889-68-2)
- 1,1-Dichloro-2-ethoxycyclopropane (CAS 7363-99-7)
- Xenopsin-Related Peptide 2 (XP-2) (H-9340.0005) (CAS 117442-29-2)
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