9-[(Benzyl-Methyl-Amino)Methyl]-8-Thiabicyclo[4.3.0]Nona-1,3,5-Trien-7-One
[CAS# 97874-31-2]

Identification

• Name: 9-[(Benzyl-Methyl-Amino)Methyl]-8-Thiabicyclo[4.3.0]Nona-1,3,5-Trien-7-One
• Synonyms: 3-[(Benzyl-Methyl-Amino)Methyl]-3H-Isobenzothiophen-1-One; 3-((Methyl(Phenylmethyl)Amino)Methyl)Benzo(C)Thiophen-1(3H)-One; Benzo(C)Thiophen-1(3H)-One, 3-((Methyl(Phenylmethyl)Amino)Methyl)-
• Molecular Formula: C₁₇H₁₇NOS
• Molecular Weight: 283.39
• CAS Registry Number: 97874-31-2
• SMILES: C1=C2C(=CC=C1)C(SC2CN(CC3=CC=CC=C3)C)=O
• InChI: 1S/C17H17NOS/c1-18(11-13-7-3-2-4-8-13)12-16-14-9-5-6-10-15(14)17(19)20-16/h2-10,16H,11-12H2,1H3
• InChIKey: RVUHERNEVDWMBK-UHFFFAOYSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 390.592°C at 760 mmHg (Cal.)
• Flash point: 190.023°C (Cal.)