Methyl 1,3-Benzothiazole-2-Carboxylate 3-Oxide
[CAS# 27655-31-8]

Identification

• Name: Methyl 1,3-Benzothiazole-2-Carboxylate 3-Oxide
• Synonyms: 2-(methoxycarbonyl)benzo[d]thiazole 3-oxide
• Molecular Formula: C₉H₇NO₃S
• Molecular Weight: 209.22
• CAS Registry Number: 27655-31-8
• SMILES: COC(=O)C1=[N+](C2=CC=CC=C2S1)[O-]
• InChI: 1S/C9H7NO3S/c1-13-9(11)8-10(12)6-4-2-3-5-7(6)14-8/h2-5H,1H3
• InChIKey: RMVGZIVRUJTOAG-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 347.5±25.0°C at 760 mmHg (Cal.)
• Flash point: 164.0±23.2°C (Cal.)
• Refractive index: 1.656 (Cal.)