4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carbonitrile CAS 1208170-17-5
| CAS No. | 1208170-17-5 |
| Molecular Formula | C7H6ClN3S |
| Molecular Weight | 199.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carbonitrile is closely related to a nitrile group, sulfur-containing functionality, chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carbonitrile (CAS 1208170-17-5) is a high-purity analytical reference standard with the molecular formula C7H6ClN3S and a molecular weight of 199.66 g/mol.
Based on its molecular formula C7H6ClN3S, 4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carbonitrile contains a nitrile group, sulfur-containing functionality, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 199.66 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C7H6ClN3S |
| Molecular Weight | 199.66 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 1,4-oxazepane-4-sulfonyl chloride (CAS 1200798-09-9)
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- 4-(chloromethyl)-2-(furan-3-yl)-1,3-thiazole (CAS 1269151-74-7)
- 4-(4-Acetylbenzoyl)-3,3-dimethylpiperazin-2-one (CAS 952832-62-1)
- (1-Ethyl-2-methyl-1h-imidazol-5-yl)methanamine (CAS 1483279-56-6)
- 2-(2,3-Difluorobenzylidene)malononitrile (CAS 674801-23-1)
- N-Methyl-N-phenylnaphthalen-2-amine (CAS 6364-05-2)
- 2-amino-1-(5-amino-1H-imidazol-4-yl)ethan-1-one (CAS 703396-77-4)
- 4-(5-(3-Bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid (CAS 303026-63-3)
- 4-Bromo-2-methoxy-3-(trifluoromethyl)pyridine (CAS 1211583-64-0)
- 3-Aminotetrahydrofuro[2,3-c]pyridine-5,7(4H,6H)-dione (CAS 1368377-39-2)
- 1-(Furan-2-yl)-N-((tetrahydrofuran-2-yl)methyl)ethan-1-amine (CAS 1021035-01-7)
- Peptide Impurity 09 X TFA Salt (CAS CATO-CPTD788809)
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