(2E)-2-(1,3-Benzothiazol-2(3H)-Ylidene)-3-Pentanone
[CAS# 132630-13-8]

Identification

• Name: (2E)-2-(1,3-Benzothiazol-2(3H)-Ylidene)-3-Pentanone
• Synonyms: (E)-2-(benzo[d]thiazol-2(3H)-ylidene)pentan-3-one
• Molecular Formula: C₁₂H₁₃NOS
• Molecular Weight: 219.30
• CAS Registry Number: 132630-13-8
• SMILES: CCC(=O)/C(=C/1\NC2=CC=CC=C2S1)/C
• InChI: 1S/C12H13NOS/c1-3-10(14)8(2)12-13-9-6-4-5-7-11(9)15-12/h4-7,13H,3H2,1-2H3/b12-8+
• InChIKey: VUHRTRLJOVTVQQ-XYOKQWHBSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 340.8±42.0°C at 760 mmHg (Cal.)
• Flash point: 159.9±27.9°C (Cal.)
• Refractive index: 1.598 (Cal.)