4-(tert-Butylthio)-6-chloro-5-(1H-pyrrol-1-yl)pyrimidine CAS 1707668-52-7
| CAS No. | 1707668-52-7 |
| Molecular Formula | C12H14ClN3S |
| Molecular Weight | 267.78 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 4-(tert-Butylthio)-6-chloro-5-(1H-pyrrol-1-yl)pyrimidine (C12H14ClN3S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
4-(tert-Butylthio)-6-chloro-5-(1H-pyrrol-1-yl)pyrimidine (CAS 1707668-52-7) is a high-purity analytical reference standard with the molecular formula C12H14ClN3S and a molecular weight of 267.78 g/mol.
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 | C12H14ClN3S |
| Molecular Weight | 267.78 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related tert Standards
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Recommended Standards
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- (2-chloro-1,3-thiazol-5-yl)methyl 4-propylphenyl ether 478032-32-5 KS-000036CA (CAS 478032-32-5)
- 2-(Chloromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine (CAS 877964-68-6)
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