4,6-Diamino-5-nitro-2(1H)-pyrimidinethione
[CAS# 98019-84-2]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Nitropyrimidine
• Name: 4,6-Diamino-5-nitro-2(1H)-pyrimidinethione
• Synonyms: 4,6-Diamino-5-nitro-2-thiolpyrimidine; 4,6-Diamino-5-nitro-pyrimidine-2-thiol
• Molecular Formula: C₄H₅N₅O₂S
• Molecular Weight: 187.18
• CAS Registry Number: 98019-84-2
• SMILES: c1(c(nc(nc1N)S)N)N(=O)=O
• InChI: 1S/C4H5N5O2S/c5-2-1(9(10)11)3(6)8-4(12)7-2/h(H5,5,6,7,8,12)
• InChIKey: FIKISJBYQXVMSK-UHFFFAOYSA-N

Properties

• Density: 1.784g/cm³ (Cal.)
• Boiling point: 552.455°C at 760 mmHg (Cal.)
• Flash point: 287.914°C (Cal.)