3-Allyl-2-thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one CAS 5313-48-4

Purity 97%+In StockPharmaceutical Standards
CAS No.5313-48-4
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Allyl-2-thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one CAS 5313-48-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 222.31 g/mol gives 3-Allyl-2-thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-Allyl-2-thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one (CAS 5313-48-4), molecular formula C11H14N2OS and molecular weight 222.31 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C11H14N2OS, 3-Allyl-2-thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 222.31 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

CATO manufactures 3-Allyl-2-thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1958
Nitrogen Atoms2
Sulfur Atoms1

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