6-((3,4-Dimethylbenzyl)thio)-7H-purine CAS 87179-43-9
| CAS No. | 87179-43-9 |
| Molecular Formula | C9H7ClN4OS |
| Molecular Weight | 254.70 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 6-((3,4-Dimethylbenzyl)thio)-7H-purine (CAS 87179-43-9), a certified reference material (molecular formula C9H7ClN4OS, MW 254.70 g/mol) for analytical method development and quality control.
Structurally, 6-((3,4-Dimethylbenzyl)thio)-7H-purine (C9H7ClN4OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, 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 254.70 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.
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 | C9H7ClN4OS |
| Molecular Weight | 254.70 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.) | 1981 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 2-(4-Chlorophenyl)-4-phenyl-1H-imidazole (CAS 100558-20-1)
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- 2-Oxo-2H-imidazole-4-carboxylic acid (CAS 62305-90-2)
- Valdecoxib Sulfonyl Chloride-13C2,15N (CAS 1391051-92-5)
- 2-(4-(Difluoromethoxy)phenyl)acetonitrile (CAS 41429-16-7)
- Butyl 4-(2,4-dinitrophenyl)butanoate (CAS 866151-85-1)
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