2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-methoxy-4-(phenylsulfanyl)pyrimidine CAS 338955-96-7
| CAS No. | 338955-96-7 |
| Molecular Formula | C18H14Cl2N2OS2 |
| Molecular Weight | 409.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 409.35 g/mol gives 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-methoxy-4-(phenylsulfanyl)pyrimidine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-methoxy-4-(phenylsulfanyl)pyrimidine (CAS 338955-96-7), molecular formula C18H14Cl2N2OS2 and molecular weight 409.35 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-methoxy-4-(phenylsulfanyl)pyrimidine (C18H14Cl2N2OS2) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine 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 409.35 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-methoxy-4-(phenylsulfanyl)pyrimidine 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 | C18H14Cl2N2OS2 |
| Molecular Weight | 409.35 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related dichlorophenyl Standards
- 2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-methoxy-4-(phenylsulfanyl)pyrimidine (CAS 338955-55-8)
- 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methoxy-4-(phenylsulfanyl)pyrimidine (CAS 339276-09-4)
- 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-6-[(phenylsulfanyl)methyl]pyrimidin-4-ol (CAS 860609-66-1)
- N-(4-(2,4-dichlorophenyl)thiazol-2-yl)-2-(o-tolylthio)acetamide (CAS 338957-95-2)
- N-(4-(2,4-dichlorophenyl)thiazol-2-yl)-2-(p-tolylthio)acetamide (CAS 338957-92-9)
- 7-(3,4-Dichlorophenyl)-7-methyl-3-phenyltetrahydro-5H-imidazo[1,5-b][1,2,4]triazole-2,5(3H)-dithione (CAS 400084-41-5)
- Benzyl 4-(((2,4-dichlorophenyl)amino)methyl)-4-hydroxypiperidine-1-carboxylate (CAS 1353878-14-4)
- 1-[(2,6-Dichlorophenyl)methoxy]-4-methyl-3,5-diphenyl-1H-pyrazole (CAS 400084-09-5)
Recommended Standards
- 2-(4-Methylpiperazin-1-yl)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethane-1-sulfonamide (CAS 957198-23-1)
- 2-((2,6-Dichlorobenzyl)thio)-6-((phenylthio)methyl)pyrimidin-4(3H)-one (CAS 866143-68-2)
- 2-{[(4-chlorophenyl)methyl]sulfanyl}-4-[(2-chlorophenyl)sulfanyl]-5-methoxypyrimidine (CAS 338423-14-6)
- (2-Chlorophenyl)(2-((4-chlorophenyl)sulfonyl)benzyl)sulfane (CAS 337923-91-8)
- 4-Methyl-3-(2,2,2-trifluoroethoxy)-5H-pyrido[1’,2’:4,5][1,2,4]thiadiazino[2,3-a]benzimidazol-13-ium Chloride (CAS 111712-17-5)
- 2-(5-Bromothiophen-2-yl)-2-methyloxetane (CAS 1783427-68-8)
- Kaolinite (CAS 1318-74-7)
- Butyl (1S,2S)-2-Fluorocyclopropanecarboxylate (CAS 177933-52-7)
- tert-Butyl 4-hydroxypiperidine-1-carboxylate-2,2,6,6-d4 (CAS 1014695-52-3)
- (R)-STRIP (CAS 1372719-95-3)
- 3-Bromo-5-morpholinobenzonitrile (CAS 1129540-92-6)
- (4-Chlorobutyl)(4-Fluorobutyl) Ether (CAS 593-22-6)
- 2-Amino-N-(4-fluoro-benzyl)-N-isopropyl-acetamide (CAS 1353955-15-3)
- ([D?]Val?·1?)-C-Peptide (human) (CAS 1802078-41-6)
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