S-(1,1-Dimethylethyl) S-(4-(1,1-Dimethylethyl)Phenyl)Methyl 3-Pyridinylcarbonimidodithioate
[CAS# 51308-57-7]

Identification

• Name: S-(1,1-Dimethylethyl) S-(4-(1,1-Dimethylethyl)Phenyl)Methyl 3-Pyridinylcarbonimidodithioate
• Synonyms: [1-(4-Tert-Butylphenyl)-2,2-Dimethyl-Propyl] (3-Pyridylamino)Methanedithioate; (3-Pyridylamino)Methanedithioic Acid [1-(4-Tert-Butylphenyl)-2,2-Dimethylpropyl] Ester; (3-Pyridylamino)Methanedithioic Acid [1-(4-Tert-Butylphenyl)-2,2-Dimethyl-Propyl] Ester
• Molecular Formula: C₂₁H₂₈N₂S₂
• Molecular Weight: 372.59
• CAS Registry Number: 51308-57-7
• SMILES: C1=NC=CC=C1NC(SC(C2=CC=C(C=C2)C(C)(C)C)C(C)(C)C)=S
• InChI: 1S/C21H28N2S2/c1-20(2,3)16-11-9-15(10-12-16)18(21(4,5)6)25-19(24)23-17-8-7-13-22-14-17/h7-14,18H,1-6H3,(H,23,24)
• InChIKey: MIZZFOUKRBLVDP-UHFFFAOYSA-N

Properties

• Density: 1.123g/cm³ (Cal.)
• Boiling point: 479.82°C at 760 mmHg (Cal.)
• Flash point: 243.986°C (Cal.)