(1E)-1-(3-Methyl-1,3-benzothiazol-2(3H)-ylidene)-2-butanone
[CAS# 800377-16-6]

Identification

• Name: (1E)-1-(3-Methyl-1,3-benzothiazol-2(3H)-ylidene)-2-butanone
• Synonyms: (E)-1-(3-methylbenzo[d]thiazol-2(3H)-ylidene)butan-2-one
• Molecular Formula: C₁₂H₁₃NOS
• Molecular Weight: 219.30
• CAS Registry Number: 800377-16-6
• SMILES: CCC(=O)/C=C/1\N(C2=CC=CC=C2S1)C
• InChI: 1S/C12H13NOS/c1-3-9(14)8-12-13(2)10-6-4-5-7-11(10)15-12/h4-8H,3H2,1-2H3/b12-8+
• InChIKey: UPKDLTWKPXUOSB-XYOKQWHBSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 328.9±42.0°C at 760 mmHg (Cal.)
• Flash point: 152.7±27.9°C (Cal.)
• Refractive index: 1.669 (Cal.)