6-((3-Iodoprop-2-yn-1-yl)thio)-2-(methylthio)pyrimidin-4(1H)-one CAS 111787-42-9

Purity 97%+In StockPharmaceutical Standards
CAS No.111787-42-9
Molecular FormulaC8H7IN2OS2
Molecular Weight338.19 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6-((3-Iodoprop-2-yn-1-yl)thio)-2-(methylthio)pyrimidin-4(1H)-one CAS 111787-42-9 chemical structure

Description

The occurrence of 6-((3-Iodoprop-2-yn-1-yl)thio)-2-(methylthio)pyrimidin-4(1H)-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

6-((3-Iodoprop-2-yn-1-yl)thio)-2-(methylthio)pyrimidin-4(1H)-one (CAS 111787-42-9) is a high-purity analytical reference standard with the molecular formula C8H7IN2OS2 and a molecular weight of 338.19 g/mol.

Based on its molecular formula C8H7IN2OS2, 6-((3-Iodoprop-2-yn-1-yl)thio)-2-(methylthio)pyrimidin-4(1H)-one contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, iodine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 338.19 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).

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-((3-Iodoprop-2-yn-1-yl)thio)-2-(methylthio)pyrimidin-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 FormulaC8H7IN2OS2
Molecular Weight338.19 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Halogen ContentI-containing
Nitrogen Atoms2
Sulfur Atoms2

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