1-[[2-(Dimethylamino)Ethyl]Amino]-4-Nitro-9H-Thioxanthen-9-One
[CAS# 80568-03-2]

Identification

• Name: 1-[[2-(Dimethylamino)Ethyl]Amino]-4-Nitro-9H-Thioxanthen-9-One
• Synonyms: 1-(2-Dimethylaminoethylamino)-4-Nitro-Thioxanthen-9-One; 1-(2-Dimethylaminoethylamino)-4-Nitro-9-Thioxanthenone; Nci60_004089
• Molecular Formula: C₁₇H₁₇N₃O₃S
• Molecular Weight: 343.40
• CAS Registry Number: 80568-03-2
• SMILES: C3=C(NCCN(C)C)C1=C(SC2=C(C1=O)C=CC=C2)C(=C3)[N+]([O-])=O
• InChI: 1S/C17H17N3O3S/c1-19(2)10-9-18-12-7-8-13(20(22)23)17-15(12)16(21)11-5-3-4-6-14(11)24-17/h3-8,18H,9-10H2,1-2H3
• InChIKey: PEWQOANBYFRFKW-UHFFFAOYSA-N

Properties

• Density: 1.373g/cm³ (Cal.)
• Boiling point: 546.146°C at 760 mmHg (Cal.)
• Flash point: 284.099°C (Cal.)