4-Dipropylamino-3-Nitro-1-Thiocoumarin
[CAS# 69405-49-8]

Identification

• Name: 4-Dipropylamino-3-Nitro-1-Thiocoumarin
• Synonyms: 4-(Dipropylamino)-3-Nitro-Thiochromen-2-One; 4-(Dipropylamino)-3-Nitro-2-Thiochromenone; Oprea1_487273
• Molecular Formula: C₁₅H₁₈N₂O₃S
• Molecular Weight: 306.38
• CAS Registry Number: 69405-49-8
• SMILES: C1=C2C(=CC=C1)SC(C(=C2N(CCC)CCC)[N+](=O)[O-])=O
• InChI: 1S/C15H18N2O3S/c1-3-9-16(10-4-2)13-11-7-5-6-8-12(11)21-15(18)14(13)17(19)20/h5-8H,3-4,9-10H2,1-2H3
• InChIKey: IWHCRBBRAJTUNV-UHFFFAOYSA-N

Properties

• Density: 1.271g/cm³ (Cal.)
• Boiling point: 381.954°C at 760 mmHg (Cal.)
• Flash point: 184.8°C (Cal.)