6-(3-Thioxo-3H-1,2,4-triazol-5-yl)pyrimidine-4(1H)-thione CAS 112214-44-5

Purity 97%+In StockPharmaceutical Standards
CAS No.112214-44-5
Molecular FormulaC6H3N5S2
Molecular Weight209.25 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6-(3-Thioxo-3H-1,2,4-triazol-5-yl)pyrimidine-4(1H)-thione CAS 112214-44-5 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-(3-Thioxo-3H-1,2,4-triazol-5-yl)pyrimidine-4(1H)-thione.

6-(3-Thioxo-3H-1,2,4-triazol-5-yl)pyrimidine-4(1H)-thione (CAS 112214-44-5) is a high-purity analytical reference standard with the molecular formula C6H3N5S2 and a molecular weight of 209.25 g/mol.

Structurally, 6-(3-Thioxo-3H-1,2,4-triazol-5-yl)pyrimidine-4(1H)-thione (C6H3N5S2) contains a nitrile group, sulfur-containing functionality, an aromatic ring system. 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 209.25 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.

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 6-(3-Thioxo-3H-1,2,4-triazol-5-yl)pyrimidine-4(1H)-thione 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 FormulaC6H3N5S2
Molecular Weight209.25 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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Nitrogen Atoms5
Sulfur Atoms2

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