3,6-Dimethyl-1,3-Benzothiazol-2(3H)-One
[CAS# 100445-18-9]

Identification

• Name: 3,6-Dimethyl-1,3-Benzothiazol-2(3H)-One
• Synonyms: 3,6-dimethylbenzo[d]thiazol-2(3H)-one
• Molecular Formula: C₉H₉NOS
• Molecular Weight: 179.24
• CAS Registry Number: 100445-18-9
• SMILES: Cc1ccc2c(c1)SC(=O)N2C
• InChI: 1S/C9H9NOS/c1-6-3-4-7-8(5-6)12-9(11)10(7)2/h3-5H,1-2H3
• InChIKey: GORRQCDPRZIXNC-UHFFFAOYSA-N

Properties

• Density: 1.264g/cm³ (Cal.)
• Boiling point: 313.268°C at 760 mmHg (Cal.)
• Flash point: 143.26°C (Cal.)
• Refractive index: 1.632 (Cal.)