Ethyl 2-[[5-Tert-Butyl-2-(Dimethylcarbamoyl)-1,2,4-Triazol-3-Yl]Sulfanyl]Acetate
[CAS# 110895-43-7]

Identification

• Name: Ethyl 2-[[5-Tert-Butyl-2-(Dimethylcarbamoyl)-1,2,4-Triazol-3-Yl]Sulfanyl]Acetate
• Synonyms: 2-[[5-Tert-Butyl-2-(Dimethylamino-Oxomethyl)-1,2,4-Triazol-3-Yl]Thio]Acetic Acid Ethyl Ester; 2-[[5-Tert-Butyl-2-(Dimethylcarbamoyl)-1,2,4-Triazol-3-Yl]Thio]Acetic Acid Ethyl Ester; Ethyl 2-[[5-Tert-Butyl-2-(Dimethylcarbamoyl)-1,2,4-Triazol-3-Yl]Sulfanyl]Ethanoate
• Molecular Formula: C₁₃H₂₂N₄O₃S
• Molecular Weight: 314.40
• CAS Registry Number: 110895-43-7
• SMILES: C(SC1=NC(=N[N]1C(N(C)C)=O)C(C)(C)C)C(OCC)=O
• InChI: 1S/C13H22N4O3S/c1-7-20-9(18)8-21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h7-8H2,1-6H3
• InChIKey: NKNFWVNSBIXGLL-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 443.7±47.0°C at 760 mmHg (Cal.)
• Flash point: 222.1±29.3°C (Cal.)