3-Methyl-5-nitro-1,3-benzothiazol-2(3H)-one
[CAS# 813424-06-5]

Identification

• Name: 3-Methyl-5-nitro-1,3-benzothiazol-2(3H)-one
• Synonyms: 3-methyl-5-nitrobenzo[d]thiazol-2(3H)-one
• Molecular Formula: C₈H₆N₂O₃S
• Molecular Weight: 210.21
• CAS Registry Number: 813424-06-5
• SMILES: O=N(=O)c1cc2c(cc1)SC(=O)N2C
• InChI: 1S/C8H6N2O3S/c1-9-6-4-5(10(12)13)2-3-7(6)14-8(9)11/h2-4H,1H3
• InChIKey: OUMDRCNQXVDBNU-UHFFFAOYSA-N

Properties

• Density: 1.53g/cm³ (Cal.)
• Boiling point: 394.795°C at 760 mmHg (Cal.)
• Flash point: 192.565°C (Cal.)
• Refractive index: 1.686 (Cal.)