1,1-Dioxo-N-(Phenylmethyl)-N-[3-[3-(Piperidin-1-Ylmethyl)Phenoxy]Propyl]Thieno[3,4-d][1,2]Thiazol-3-Amine
[CAS# 104221-86-5]

Identification

• Name: 1,1-Dioxo-N-(Phenylmethyl)-N-[3-[3-(Piperidin-1-Ylmethyl)Phenoxy]Propyl]Thieno[3,4-d][1,2]Thiazol-3-Amine
• Synonyms: 1,1-Dioxo-N-(Phenylmethyl)-N-[3-[3-(1-Piperidylmethyl)Phenoxy]Propyl]Thieno[3,4-D]Isothiazol-3-Amine; 1,1-Dioxo-N-(Phenylmethyl)-N-[3-[3-(1-Piperidylmethyl)Phenoxy]Propyl]-3-Thieno[3,4-D]Isothiazolamine; Benzyl-(1,1-Diketothieno[3,4-D]Isothiazol-3-Yl)-[3-[3-(Piperidinomethyl)Phenoxy]Propyl]Amine
• Molecular Formula: C₂₇H₃₁N₃O₃S₂
• Molecular Weight: 509.68
• CAS Registry Number: 104221-86-5
• SMILES: C5=C4[S](=O)(=O)N=C(N(CC1=CC=CC=C1)CCCOC2=CC=CC(=C2)CN3CCCCC3)C4=CS5
• InChI: 1S/C27H31N3O3S2/c31-35(32)26-21-34-20-25(26)27(28-35)30(19-22-9-3-1-4-10-22)15-8-16-33-24-12-7-11-23(17-24)18-29-13-5-2-6-14-29/h1,3-4,7,9-12,17,20-21H,2,5-6,8,13-16,18-19H2
• InChIKey: YWOVCUCLMADHSH-UHFFFAOYSA-N

Properties

• Density: 1.301g/cm³ (Cal.)
• Boiling point: 684.589°C at 760 mmHg (Cal.)
• Flash point: 367.826°C (Cal.)