Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-(2-(1,3-dioxolan-2-yl)ethyl)-, (Z)-2-butenedioate (1:1)

Base Information

• Chemical Name: Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-(2-(1,3-dioxolan-2-yl)ethyl)-, (Z)-2-butenedioate (1:1)
• CAS No.: 39889-99-1
• Molecular Formula: C28H34N2O6S2
• Molecular Weight: 558.7094

Synonyms:39889-99-1;Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-(2-(1,3-dioxolan-2-yl)ethyl)-, (Z)-2-butenedioate (1:1);C24H30N2O2S2.C4H4O4;C24-H30-N2-O2-S2.C4-H4-O4;LS-111704

Chemical Property of Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-(2-(1,3-dioxolan-2-yl)ethyl)-, (Z)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 2.96E-12mmHg at 25°C
• Boiling Point: 552.6°Cat760mmHg
• Flash Point: 288°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 558.18582916
• Heavy Atom Count: 38
• Complexity: 658

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• Canonical SMILES: CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCC5OCCO5.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCC5OCCO5.C(=C/C(=O)O)\C(=O)O

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