[(4-Hydroxy-2-Quinazolinyl)Sulfanyl]Acetic Acid
[CAS# 16431-29-1]

Identification

• Name: [(4-Hydroxy-2-Quinazolinyl)Sulfanyl]Acetic Acid
• Synonyms: acid; ((4-oxo-1,4-dihydroquinazolin-2-yl)thio)acetic acid; (4-Hydroxy-quinazolin-2-ylsulfanyl)-acetic acid
• Molecular Formula: C₁₀H₈N₂O₃S
• Molecular Weight: 236.25
• CAS Registry Number: 16431-29-1
• SMILES: C1=CC=C2C(=C1)C(=NC(=N2)SCC(=O)O)O
• InChI: 1S/C10H8N2O3S/c13-8(14)5-16-10-11-7-4-2-1-3-6(7)9(15)12-10/h1-4H,5H2,(H,13,14)(H,11,12,15)
• InChIKey: MVJSWCZVASBMCH-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 553.2±56.0°C at 760 mmHg (Cal.)
• Flash point: 288.4±31.8°C (Cal.)
• Refractive index: 1.748 (Cal.)

Safety Data

• Safety Description: IRRITANT