3-(5-Iodopyridin-2-yl)-1-[(1E)-({2-[3-(trifluoromethyl)phenoxy]ethoxy}amino)methylidene]thiourea CAS 338962-74-6
| CAS No. | 338962-74-6 |
| Molecular Formula | C16H14F3IN4O2S |
| Molecular Weight | 510.27 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-(5-Iodopyridin-2-yl)-1-[(1E)-({2-[3-(trifluoromethyl)phenoxy]ethoxy}amino)methylidene]thiourea.
3-(5-Iodopyridin-2-yl)-1-[(1E)-({2-[3-(trifluoromethyl)phenoxy]ethoxy}amino)methylidene]thiourea (CAS 338962-74-6), molecular formula C16H14F3IN4O2S and molecular weight 510.27 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(5-Iodopyridin-2-yl)-1-[(1E)-({2-[3-(trifluoromethyl)phenoxy]ethoxy}amino)methylidene]thiourea (C16H14F3IN4O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 510.27 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 | C16H14F3IN4O2S |
| Molecular Weight | 510.27 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/I-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Iodopyridin Standards
- N-(5-Iodopyridin-2-yl)-2-{[(E)-[3-(4-methylphenyl)-3-oxopropylidene]amino]oxy}acetamide (CAS 339018-03-0)
- N-(5-iodopyridin-2-yl)-5-methyl-3-(pyrrolidine-1-carbonyl)isoxazole-4-carboxamide (CAS 339018-09-6)
- 3-(5-Iodopyridin-2-yl)-1-[4-(trifluoromethyl)phenyl]urea (CAS 338401-03-9)
- Ethyl 4-[(5-iodopyridin-2-yl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate (CAS 339018-08-5)
- N-(5-Iodopyridin-2-yl)-3-[(1E)-1-(methoxyimino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CAS 339018-10-9)
- 1-(4-((5-Iodopyridin-2-yl)thio)-1H-indol-3-yl)ethanone (CAS 827044-45-1)
- 2-Iodopyridin-3-yl 2,4-dichlorobenzoate (CAS 245039-47-8)
- 2-Iodopyridin-3-yl 3-(trifluoromethyl)benzoate (CAS 246022-00-4)
Recommended Standards
- (R,R)-Dichloro[2,2'-[1,2-di(amino-κN)-1,2-ethanediyl]bis[phenol]]platinum (CAS 138230-33-8)
- (2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodobenzylamino)-9H-purin-9-yl]-N-methyltetrahydrofuran-2-carboxamide (CAS 152918-18-8)
- Di(Pentafluorophenyl) (ethy1enedioxy)diacetate (CAS 139360-39-7)
- N-(6-Amino-2,4-dioxo-1,3-dipropyl-1,2,3,4-tetrahydropyrimidin-5-yl)-3,5-dichloro-2-(2,2,2-trifluoroacetamido)benzamide (CAS 154623-75-3)
- 3,5-Dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride (CAS 1183269-60-4)
- 2-(3-Chlorophenyl)pyridin-3-amine (CAS 886507-61-5)
- 2-hydroxycyclopentanecarboxylic acid (CAS 81887-89-0)
- Methyl cyclopenta-1,4-diene-1-carboxylate (CAS 73223-48-0)
- 3-(Dimethylamino)isonicotinaldehyde (CAS 1784676-97-6)
- 4-chloro-7-methoxy-1H-pyrazolo[4,3-c]pyridine (CAS 1609259-31-5)
- 5-(3,5-Dimethoxyphenyl)-1,3,4-thiadiazol-2-amine (CAS 383130-39-0)
- 2-Amino-4-(4-(trifluoromethoxy)phenyl)butanoic acid (CAS 1260642-88-3)
- 1,2-Ethanediol, polymer with 2-ethyl-1-hexanol and phosphorus oxide (P2O5) (CAS 68958-23-6)
- Fragment-[9-31]-Semaglutide (CAS CATO-C4X-2226181)
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