2-[[2-(Acetyloxy)Ethyl]Thio]-1,4-Diamino-3-Chloro-9,10-Anthracenedione
[CAS# 58065-30-8]

Identification

• Name: 2-[[2-(Acetyloxy)Ethyl]Thio]-1,4-Diamino-3-Chloro-9,10-Anthracenedione
• Synonyms: 2-[(1,4-Diamino-3-Chloro-9,10-Dioxo-2-Anthryl)Sulfanyl]Ethyl Acetate; Acetic Acid 2-[(1,4-Diamino-3-Chloro-9,10-Dioxo-2-Anthryl)Thio]Ethyl Ester; Acetic Acid 2-[(1,4-Diamino-3-Chloro-9,10-Diketo-2-Anthryl)Thio]Ethyl Ester
• Molecular Formula: C₁₈H₁₅ClN₂O₄S
• Molecular Weight: 390.84
• CAS Registry Number: 58065-30-8
• SMILES: C1=CC=CC3=C1C(C2=C(C(=C(SCCOC(=O)C)C(=C2C3=O)N)Cl)N)=O
• InChI: 1S/C18H15ClN2O4S/c1-8(22)25-6-7-26-18-13(19)14(20)11-12(15(18)21)17(24)10-5-3-2-4-9(10)16(11)23/h2-5H,6-7,20-21H2,1H3
• InChIKey: HGLZGRVZYRLIKE-UHFFFAOYSA-N

Properties

• Density: 1.524g/cm³ (Cal.)
• Boiling point: 641.027°C at 760 mmHg (Cal.)
• Flash point: 341.481°C (Cal.)