1-(4,5-Dimethoxy-2-Nitrophenyl)Ethyl (4R)-2-(6-Hydroxy-1,3-Benzothiazol-2-Yl)-4,5-Dihydro-1,3-Thiazole-4-Carboxylate
[CAS# 223920-67-0]

Identification

• Name: 1-(4,5-Dimethoxy-2-Nitrophenyl)Ethyl (4R)-2-(6-Hydroxy-1,3-Benzothiazol-2-Yl)-4,5-Dihydro-1,3-Thiazole-4-Carboxylate
• Synonyms: D-LUCIFERIN1-(4,5-DIMETHOXY-2-NITROPHENYL)ETHYLESTER
• Molecular Formula: C₂₁H₁₉N₃O₇S₂
• Molecular Weight: 489.52
• CAS Registry Number: 223920-67-0
• SMILES: CC(C1=CC(=C(C=C1[N+](=O)[O-])OC)OC)OC(=O)[C@@H]2CSC(=N2)C3=NC4=C(S3)C=C(C=C4)O
• InChI: 1S/C21H19N3O7S2/c1-10(12-7-16(29-2)17(30-3)8-15(12)24(27)28)31-21(26)14-9-32-19(23-14)20-22-13-5-4-11(25)6-18(13)33-20/h4-8,10,14,25H,9H2,1-3H3/t10?,14-/m0/s1
• InChIKey: VGEMOUFKGRGCNZ-SBNLOKMTSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 708.2±70.0°C at 760 mmHg (Cal.)
• Flash point: 382.1±35.7°C (Cal.)
• Refractive index: 1.711 (Cal.)