[(5-Ethyl-5H-[1,2,4]Triazino[5,6-b]Indol-3-Yl)Sulfanyl]Acetic Acid
[CAS# 337489-46-0]

Identification

• Name: [(5-Ethyl-5H-[1,2,4]Triazino[5,6-b]Indol-3-Yl)Sulfanyl]Acetic Acid
• Synonyms: [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid; [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid
• Molecular Formula: C₁₃H₁₂N₄O₂S
• Molecular Weight: 288.33
• CAS Registry Number: 337489-46-0
• SMILES: CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)O
• InChI: 1S/C13H12N4O2S/c1-2-17-9-6-4-3-5-8(9)11-12(17)14-13(16-15-11)20-7-10(18)19/h3-6H,2,7H2,1H3,(H,18,19)
• InChIKey: DPEKWNQGZBHWKV-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 490.4±55.0°C at 760 mmHg (Cal.)
• Flash point: 250.4±31.5°C (Cal.)
• Refractive index: 1.751 (Cal.)