3-Methyl-2,4(1H,3H)-pyrimidinedithione
[CAS# 66819-95-2]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Urinary (urea) pyrimidine
• Name: 3-Methyl-2,4(1H,3H)-pyrimidinedithione
• Synonyms: 3-Methyl-2,4-dithiouracil
• Molecular Formula: C₅H₆N₂S₂
• Molecular Weight: 158.24
• CAS Registry Number: 66819-95-2
• SMILES: S=C1/C=C\NC(=S)N1C
• InChI: 1S/C5H6N2S2/c1-7-4(8)2-3-6-5(7)9/h2-3H,1H3,(H,6,9)
• InChIKey: WVXCBQJQTWWDRS-UHFFFAOYSA-N

Properties

• Density: 1.425g/cm³ (Cal.)
• Boiling point: 226.497°C at 760 mmHg (Cal.)
• Flash point: 90.783°C (Cal.)