3-Methyl-3H-purine-6(9H)-thione CAS 1006-12-8
| CAS No. | 1006-12-8 |
| Molecular Formula | C6H6N4S |
| Molecular Weight | 166.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Methyl-3H-purine-6(9H)-thione is closely related to a nitrile group, sulfur-containing functionality, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3-Methyl-3H-purine-6(9H)-thione (CAS 1006-12-8), a certified reference material (molecular formula C6H6N4S, MW 166.20 g/mol) for analytical method development and quality control.
Based on its molecular formula C6H6N4S, 3-Methyl-3H-purine-6(9H)-thione contains a nitrile group, sulfur-containing functionality, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 166.20 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C6H6N4S |
| Molecular Weight | 166.20 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | 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.) | 1957 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Recommended Standards
- 7-Methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2(1H)-thione (CAS 100114-29-2)
- 9-Methyl-9h-purine-6-thiol (CAS 1006-20-8)
- 2-Fluoro-6-(pyrrolidin-1-yl)pyridine (CAS 1000981-50-9)
- 5-(Furan-2-yl)thiazol-2-amine (CAS 100988-26-9)
- Racecadotril Impurity L (CAS 616-75-1)
- N-(4-(5-Acetamido-2-methoxyphenoxy)phenyl)acetamide) (CAS 1195466-17-1)
- 4-[(4-Phenoxyphenoxy)methyl]piperidine (CAS 946713-79-7)
- 5-bromonaphthalene-1,4-dicarboxylic acid (CAS CATO-C4X-26288)
- (S)-tert-Butyl 3-methyl-2-oxopiperidine-3-carboxylate (CAS 1820805-42-2)
- N-(2-(Cyclopropanecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide (CAS 955766-46-8)
- 4-(2-Methoxyethyl)-3-methylisoxazol-5-amine (CAS 89851-82-1)
- 3,4,5-Tribromopyridine-2,6-dicarboxylic acid (CAS 872268-64-9)
- (2S,3R,4S,5R)-5-((benzyloxy)methyl)-4-fluoro-2-methoxytetrahydrofuran-3-ol (CAS 14980-09-7)
- Semaglutide impurity 69 (CAS CATO-C4X-222669)
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