6-Heptyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one CAS 53554-46-4
| CAS No. | 53554-46-4 |
| Molecular Formula | C11H18N2OS |
| Molecular Weight | 226.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 6-Heptyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one.
6-Heptyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 53554-46-4) is a high-purity analytical reference standard with the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol.
The molecular framework of 6-Heptyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (C11H18N2OS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. 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. 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.
As a certified reference material (CRM), 6-Heptyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C11H18N2OS |
| Molecular Weight | 226.34 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1972 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- Ethyl 2-{2-[({[(2-chloro-6-fluorobenzyl)oxy]imino}methyl)amino]-1,3-thiazol-4-yl}benzenecarboxylate (CAS 250713-85-0)
- Tau Peptide (379-408) trifluoroacetate salt (CAS 1246357-53-8)
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