1,3-Benzothiazole-2-Carboxylic Acid 3-Oxide
[CAS# 544705-00-2]

Identification

• Name: 1,3-Benzothiazole-2-Carboxylic Acid 3-Oxide
• Synonyms: 2-carboxybenzo[d]thiazole 3-oxide
• Molecular Formula: C₈H₅NO₃S
• Molecular Weight: 195.20
• CAS Registry Number: 544705-00-2
• SMILES: c1ccc2c(c1)[n+](c(s2)C(=O)O)[O-]
• InChI: 1S/C8H5NO3S/c10-8(11)7-9(12)5-3-1-2-4-6(5)13-7/h1-4H,(H,10,11)
• InChIKey: GLVDVHLYTDCALR-UHFFFAOYSA-N

Properties

• Density: 1.607g/cm³ (Cal.)
• Boiling point: 433.561°C at 760 mmHg (Cal.)
• Flash point: 216.01°C (Cal.)
• Refractive index: 1.733 (Cal.)