Simetryn Sulfoxide
[CAS# 63028-51-3]

Identification

• Name: Simetryn Sulfoxide
• Synonyms: Ethyl-(4-Ethylamino-6-Methylsulfinyl-S-Triazin-2-Yl)Amine; 1,3,5-Triazine-2,4-Diamine, N,N'-Diethyl-6-(Methylsulfinyl)-; Simetryn Sulfoxide
• Molecular Formula: C₈H₁₅N₅OS
• Molecular Weight: 229.30
• CAS Registry Number: 63028-51-3
• SMILES: C(NC1=NC(=NC(=N1)[S](C)=O)NCC)C
• InChI: 1S/C8H15N5OS/c1-4-9-6-11-7(10-5-2)13-8(12-6)15(3)14/h4-5H2,1-3H3,(H2,9,10,11,12,13)
• InChIKey: YQQOJOREVYROAK-UHFFFAOYSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 454°C at 760 mmHg (Cal.)
• Flash point: 228.371°C (Cal.)