4,5-Diamino-3H-Pyrimidine-2-Thione Dihydrate Dihydrochloride
[CAS# 79650-37-6]

Identification

• Name: 4,5-Diamino-3H-Pyrimidine-2-Thione Dihydrate Dihydrochloride
• Synonyms: 2(1H)-Pyrimidinethione, 4,5-Diamino-, Dihydrochloride, Dihydrate; 5-Amino-2-Thiocytosine; 5-Amino-2-Thiocytosine Dihydrochloride Dihydrate
• Molecular Formula: C₄H₁₂Cl₂N₄O₂S
• Molecular Weight: 251.13
• CAS Registry Number: 79650-37-6
• SMILES: N1C(=C(N)C=NC1=S)N.[H+].[H+].[Cl-].[Cl-].O.O
• InChI: 1S/C4H6N4S.2ClH.2H2O/c5-2-1-7-4(9)8-3(2)6;;;;/h1H,5H2,(H3,6,7,8,9);2*1H;2*1H2
• InChIKey: SPCOFTOMOWVKAR-UHFFFAOYSA-N

Properties

• Boiling point: 229.3°C at 760 mmHg (Cal.)
• Flash point: 92.5°C (Cal.)