5-(5-Mercapto-1H-Tetrazol-1-Yl)Isophthalic Acid
[CAS# 15909-94-1]

Identification

• Name: 5-(5-Mercapto-1H-Tetrazol-1-Yl)Isophthalic Acid
• Synonyms: 5-(5-Thioxo-2H-Tetrazol-1-Yl)Benzene-1,3-Dicarboxylic Acid; 5-(5-Thioxo-2H-Tetrazol-1-Yl)Isophthalic Acid; 5-(5-Sulfanylidene-2H-1,2,3,4-Tetrazol-1-Yl)Benzene-1,3-Dicarboxylic Acid
• Molecular Formula: C₉H₆N₄O₄S
• Molecular Weight: 266.23
• CAS Registry Number: 15909-94-1
• EINECS: 240-052-3
• SMILES: C2=C(N1NN=NC1=S)C=C(C=C2C(O)=O)C(O)=O
• InChI: 1S/C9H6N4O4S/c14-7(15)4-1-5(8(16)17)3-6(2-4)13-9(18)10-11-12-13/h1-3H,(H,14,15)(H,16,17)(H,10,12,18)
• InChIKey: LXGZJSKVCIUYMT-UHFFFAOYSA-N

Properties

• Density: 1.858g/cm³ (Cal.)
• Boiling point: 539.426°C at 760 mmHg (Cal.)
• Flash point: 280.035°C (Cal.)