Revospirone
[CAS# 95847-87-3]

Identification

• Name: Revospirone
• Synonyms: 1,1-Dioxo-2-[3-[4-(2-Pyrimidinyl)-1-Piperazinyl]Propyl]-1,2-Benzothiazol-3-One; 1,1-Diketo-2-[3-(4-Pyrimidin-2-Ylpiperazin-1-Yl)Propyl]-1,2-Benzothiazol-3-One; 1,2-Benzisothiazol-3(2H)-One, 2-(3-(4-(2-Pyrimidinyl)-1-Piperazinyl)Propyl)-, 1,1-Dioxide
• Molecular Formula: C₁₈H₂₁N₅O₃S
• Molecular Weight: 387.46
• CAS Registry Number: 95847-87-3
• SMILES: C1=CC=CC4=C1C(N(CCCN3CCN(C2=NC=CC=N2)CC3)[S]4(=O)=O)=O
• InChI: 1S/C18H21N5O3S/c24-17-15-5-1-2-6-16(15)27(25,26)23(17)10-4-9-21-11-13-22(14-12-21)18-19-7-3-8-20-18/h1-3,5-8H,4,9-14H2
• InChIKey: MPLTZRTXQLNGED-UHFFFAOYSA-N

Properties

• Density: 1.374g/cm³ (Cal.)
• Boiling point: 625.794°C at 760 mmHg (Cal.)
• Flash point: 332.268°C (Cal.)