3-Amino-2,1-benzothiazole-5-carboxylic acid
[CAS# 749859-08-3]

Identification

• Name: 3-Amino-2,1-benzothiazole-5-carboxylic acid
• Synonyms: 2,1-Benzisothiazole-5-carboxylic acid, 3-amino-; 2,1-BENZISOTHIAZOLE-5-CARBOXYLICACID, 3-AMINO-; 3-Amino-2,1-benzothiazol-5-carbonsäure
• Molecular Formula: C₈H₆N₂O₂S
• Molecular Weight: 194.21
• CAS Registry Number: 749859-08-3
• SMILES: c1cc2c(cc1C(=O)O)c(sn2)N
• InChI: 1S/C8H6N2O2S/c9-7-5-3-4(8(11)12)1-2-6(5)10-13-7/h1-3H,9H2,(H,11,12)
• InChIKey: ZXQPONGDKWCSJI-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 474.2±25.0°C at 760 mmHg (Cal.)
• Flash point: 240.6±23.2°C (Cal.)
• Refractive index: 1.8 (Cal.)