N-(6-{[(4-Chlorophenyl)sulfanyl]methyl}-2-methyl-4-pyrimidinyl)-N-methylamine CAS 339278-68-1
| CAS No. | 339278-68-1 |
| Molecular Formula | C13H14ClN3S |
| Molecular Weight | 279.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-(6-{[(4-Chlorophenyl)sulfanyl]methyl}-2-methyl-4-pyrimidinyl)-N-methylamine is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
N-(6-{[(4-Chlorophenyl)sulfanyl]methyl}-2-methyl-4-pyrimidinyl)-N-methylamine (CAS 339278-68-1) is a high-purity analytical reference standard with the molecular formula C13H14ClN3S and a molecular weight of 279.79 g/mol.
Structurally, N-(6-{[(4-Chlorophenyl)sulfanyl]methyl}-2-methyl-4-pyrimidinyl)-N-methylamine (C13H14ClN3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 279.79 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C13H14ClN3S |
| Molecular Weight | 279.79 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.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related N Standards
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- 4-(4-Chlorophenyl)-2-(piperazin-1-yl)thiazole (CAS 924843-35-6)
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- 5-(2-Chlorophenyl)-4-cyclopentyl-4H-1,2,4-triazole-3-thiol (CAS 750610-95-8)
- N-(4-chlorophenyl)-1-(2-(ethylthio)-1-methyl-1H-imidazol-5-yl)methanimine (CAS 320423-09-4)
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Recommended Standards
- N-benzyl-6-chloro-N-methyl-2-(methylthio)pyrimidin-4-amine (CAS 478258-42-3)
- Dibenzo[b,d]tellurophene (CAS 244-98-4)
- Ticlopidine N-Oxide (CAS 79923-55-0)
- 6-Chloro-N-(2,3-dimethylphenyl)-2-(methylthio)pyrimidin-4-amine (CAS 86626-95-1)
- 1-(4-(Trifluoromethyl)benzyl)-1h-pyrazol-5-amine (CAS 956438-49-6)
- o-(Benzo[b]thiophen-3-ylmethyl)hydroxylamine (CAS 66233-93-0)
- [4-(pyridin-2-yl)-1,3-thiazol-2-yl]methanamine dihydrochloride (CAS 1955541-32-8)
- 1-(4-aminocyclohexyl)piperidin-2-one hydrochloride (CAS 1432681-09-8)
- Tadalafil Impurity 35 (CAS 2169996-11-4)
- Dimethyl octafluoroadipate (CAS 3107-98-0)
- 3-((2-Ethyl-1H-imidazol-1-yl)methyl)-4-methoxybenzoic acid (CAS 932893-96-4)
- 6-(4-Methoxyphenyl)pyridazine-3-thiol (CAS 72486-28-3)
- (S)-tert-Butyl (2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl)carbamate (CAS 2648219-62-7)
- Peptide Fmoc-Thi-Thi-OH (CAS CATO-CPTD788552)
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