Methylsulfanyl-(4-Tert-Butylphenyl)Methanone
[CAS# 82505-06-4]

Identification

• Name: Methylsulfanyl-(4-Tert-Butylphenyl)Methanone
• Synonyms: 4-Tert-Butylbenzenecarbothioic Acid S-(Trideuteriomethyl) Ester; 4-Tert-Butylthiobenzoic Acid S-(Trideuteriomethyl) Ester; Benzenecarbothioic Acid, 4-(1,1-Dimethylethyl)-S-(Methyl-D3) Ester
• Molecular Formula: C₁₂H₁₃D₃OS
• Molecular Weight: 211.34
• CAS Registry Number: 82505-06-4
• SMILES: C1=C(C(=O)SC([2H])([2H])[2H])C=CC(=C1)C(C)(C)C
• InChI: 1S/C12H16OS/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3/i4D3
• InChIKey: XDPPGGSEBMDYLC-GKOSEXJESA-N

Properties

• Density: 1.048g/cm³ (Cal.)
• Boiling point: 285.192°C at 760 mmHg (Cal.)
• Flash point: 113.396°C (Cal.)