5-Methoxy-2-Methyl-1,3-Benzothiazole-4,7-Dione
[CAS# 265312-60-5]

Identification

• Name: 5-Methoxy-2-Methyl-1,3-Benzothiazole-4,7-Dione
• Synonyms: 4,7-Benzothiazoledione,5-methoxy-2-methyl-(9CI); 4,7-Benzothiazoledione-5-methoxy-2-methy; 4,7-Dioxobenzothiazole analog
• Molecular Formula: C₉H₇NO₃S
• Molecular Weight: 209.22
• CAS Registry Number: 265312-60-5
• SMILES: CC1=NC2=C(S1)C(=O)C=C(C2=O)OC
• InChI: 1S/C9H7NO3S/c1-4-10-7-8(12)6(13-2)3-5(11)9(7)14-4/h3H,1-2H3
• InChIKey: WAYQKVSKSDCGSG-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 380.4±42.0°C at 760 mmHg (Cal.)
• Flash point: 183.9±27.9°C (Cal.)
• Refractive index: 1.604 (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Jeffery J. Newsome, Marie A. Colucci, Mary Hassani, Howard D. Beall and Christopher J. Moody. Benzimidazole- and benzothiazole-quinones: excellent substrates for NAD(P)H:quinone oxidoreductase 1, Org. Biomol. Chem., 2007, 5, 3665.