2-[(4-Hydroxy-2-Quinazolinyl)Sulfanyl]Propanoic Acid
[CAS# 328977-86-2]

Identification

• Name: 2-[(4-Hydroxy-2-Quinazolinyl)Sulfanyl]Propanoic Acid
• Synonyms: 2-((4-oxo-1,4-dihydroquinazolin-2-yl)thio)propanoic acid; 2-((4-oxo-3,4-dihydroquinazolin-2-yl)thio)propanoic acid; 2-(4-Oxo-1,4-dihydro-quinazolin-2-ylsulfanyl)-prop
• Molecular Formula: C₁₁H₁₀N₂O₃S
• Molecular Weight: 250.27
• CAS Registry Number: 328977-86-2
• SMILES: CC(C(=O)O)SC1=NC2=CC=CC=C2C(=N1)O
• InChI: 1S/C11H10N2O3S/c1-6(10(15)16)17-11-12-8-5-3-2-4-7(8)9(14)13-11/h2-6H,1H3,(H,15,16)(H,12,13,14)
• InChIKey: VYCHQMHTSPQPMW-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 530.9±56.0°C at 760 mmHg (Cal.)
• Flash point: 274.9±31.8°C (Cal.)
• Refractive index: 1.715 (Cal.)

Safety Data

• Safety Description: IRRITANT