4-Oxo-2-Sulfanylidene-1H-Quinazoline-6-Carboxylic Acid
[CAS# 34330-02-4]

Identification

• Name: 4-Oxo-2-Sulfanylidene-1H-Quinazoline-6-Carboxylic Acid
• Synonyms: 4-Oxo-2-Thioxo-1H-Quinazoline-6-Carboxylic Acid; 4-Keto-2-Thioxo-1H-Quinazoline-6-Carboxylic Acid; 1,2,3,4-Tetrahydro-4-Oxo-2-Thioxoquinazoline-6-Carboxylic Acid
• Molecular Formula: C₉H₆N₂O₃S
• Molecular Weight: 222.22
• CAS Registry Number: 34330-02-4
• EINECS: 251-941-0
• SMILES: C1=C(C(=O)O)C=CC2=C1C(NC(N2)=S)=O
• InChI: 1S/C9H6N2O3S/c12-7-5-3-4(8(13)14)1-2-6(5)10-9(15)11-7/h1-3H,(H,13,14)(H2,10,11,12,15)
• InChIKey: JUEVRDXLTGJBSO-UHFFFAOYSA-N

Properties

• Density: 1.68g/cm³ (Cal.)
• Boiling point: 530.3°C at 760 mmHg (Cal.)
• Flash point: 274.5°C (Cal.)