2(1H)-Pyrimidinethione(CAS: 1450-85-7)

CAS Number
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Basic Information
Molecular Formula
C4H4N2S
Molecular Weight
112.16 g/mol
Physical Properties
Melting Point
230 °C (dec.) (lit.)
Boiling Point
191.3ºC at 760 mmHg
Flash Point
69.5ºC
Chemical Identifiers
SMILES
C1=CNC(=S)N=C1
InChIKey
HBCQSNAFLVXVAY-UHFFFAOYSA-N
Database References
MDL Number
MFCD00006073
Beilstein Registry Number
107105
FAQ
2(1H)-Pyrimidinethione is a crystalline compound with a molecular weight of approximately 113.12 g/mol. It has low water solubility and is moderately soluble in organic solvents. Reactivity is moderate, showing basic properties due to the presence of a nitrogen atom in the ring structure. It is stable under normal conditions but may degrade upon prolonged exposure to heat or strong acids.
2(1H)-Pyrimidinethione can be synthesized by the condensation of urea with thioacetic acid in the presence of a base. Commonly, this reaction is carried out in an aqueous medium. The yield is typically around 70-80%, and the product is purified by recrystallization from water or ethanol. This method provides a high degree of purity and selectivity for the target compound.
2(1H)-Pyrimidinethione finds applications in the pharmaceutical industry for its use as a precursor in the synthesis of various bioactive compounds. It is also utilized in the polymer industry for the preparation of functional polymers. Additionally, it is used in the development of sensors and semiconductors due to its unique chemical properties.
When handling 2(1H)-Pyrimidinethione, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or within a fume hood to minimize inhalation risks. Spills should be handled with caution using an appropriate absorbent material and then disposed of following laboratory safety guidelines. Always consult the safety data sheet (SDS) for detailed handling instructions and emergency procedures.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
Contact Information
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