2-Thioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylic acid
[CAS# 84092-99-9]

Identification

• Name: 2-Thioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylic acid
• Synonyms: 2-mercapto-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile; 2-Mercapto-benzothiazole-6-carboxylic acid; 2-sulfanyl-1,3-benzothiazole-6-carboxylic acid
• Molecular Formula: C₈H₅NO₂S₂
• Molecular Weight: 211.26
• CAS Registry Number: 84092-99-9
• SMILES: O=C(O)c2ccc1c(SC(=S)N1)c2
• InChI: 1S/C8H5NO2S2/c10-7(11)4-1-2-5-6(3-4)13-8(12)9-5/h1-3H,(H,9,12)(H,10,11)
• InChIKey: GJZGGNOKWQKDIY-UHFFFAOYSA-N

Properties

• Density: 1.689g/cm³ (Cal.)
• Boiling point: 454.657°C at 760 mmHg (Cal.)
• Flash point: 228.768°C (Cal.)