4,4-Dimethylthiochroman-6-Yl Methyl Ketone 1,1-Dioxide
[CAS# 92788-09-5]

Identification

• Name: 4,4-Dimethylthiochroman-6-Yl Methyl Ketone 1,1-Dioxide
• Synonyms: 1-(1,1-Diketo-4,4-Dimethyl-2,3-Dihydrothiochromen-6-Yl)Ethanone; 4,4-Dckd; 4,4-Dimethylthiochroman-6-Yl Methyl Ketone 1,1-Dioxide
• Molecular Formula: C₁₃H₁₆O₃S
• Molecular Weight: 252.33
• CAS Registry Number: 92788-09-5
• SMILES: C1=C(C=C2C(=C1)[S](CCC2(C)C)(=O)=O)C(C)=O
• InChI: 1S/C13H16O3S/c1-9(14)10-4-5-12-11(8-10)13(2,3)6-7-17(12,15)16/h4-5,8H,6-7H2,1-3H3
• InChIKey: ICHLZFTYIRCGMT-UHFFFAOYSA-N

Properties

• Density: 1.186g/cm³ (Cal.)
• Boiling point: 451.67°C at 760 mmHg (Cal.)
• Flash point: 286.077°C (Cal.)