3,3-Dimethyl-1-(2-Thioxo-1(2H)-Pyridinyl)-2-Butanone
[CAS# 13134-81-1]

Identification

• Name: 3,3-Dimethyl-1-(2-Thioxo-1(2H)-Pyridinyl)-2-Butanone
• Synonyms: 3,3-dimethyl-1-(2-thioxopyridin-1(2H)-yl)butan-2-one
• Molecular Formula: C₁₁H₁₅NOS
• Molecular Weight: 209.31
• CAS Registry Number: 13134-81-1
• SMILES: CC(C)(C)C(=O)Cn1ccccc1=S
• InChI: 1S/C11H15NOS/c1-11(2,3)9(13)8-12-7-5-4-6-10(12)14/h4-7H,8H2,1-3H3
• InChIKey: YPNXXJYKHPFZLU-UHFFFAOYSA-N

Properties

• Density: 1.115g/cm³ (Cal.)
• Boiling point: 306.413°C at 760 mmHg (Cal.)
• Flash point: 139.114°C (Cal.)
• Refractive index: 1.573 (Cal.)