2-Methyl-2-Propanyl (2R)-2-[(6-Nitro-1H-Benzotriazol-1-Yl)Carbonothioyl]-1-Pyrrolidinecarboxylate
[CAS# 260782-41-0]

Identification

• Name: 2-Methyl-2-Propanyl (2R)-2-[(6-Nitro-1H-Benzotriazol-1-Yl)Carbonothioyl]-1-Pyrrolidinecarboxylate
• Synonyms: Boc-ThionoPro-1-(6-nitro)benzotriazolide
• Molecular Formula: C₁₆H₁₉N₅O₄S
• Molecular Weight: 377.42
• CAS Registry Number: 260782-41-0
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H]1C(=S)N2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2
• InChI: 1S/C16H19N5O4S/c1-16(2,3)25-15(22)19-8-4-5-12(19)14(26)20-13-9-10(21(23)24)6-7-11(13)17-18-20/h6-7,9,12H,4-5,8H2,1-3H3/t12-/m1/s1
• InChIKey: JBRXUSCWXAMKQW-GFCCVEGCSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 543.1±60.0°C at 760 mmHg (Cal.)
• Flash point: 282.2±32.9°C (Cal.)
• Refractive index: 1.69 (Cal.)