1-(1-(5-Chloro-2-(phenylthio)phenyl)ethyl)-4-methylpiperazine (Z)-2-butenedioate (1:2)

Base Information

• Chemical Name: 1-(1-(5-Chloro-2-(phenylthio)phenyl)ethyl)-4-methylpiperazine (Z)-2-butenedioate (1:2)
• CAS No.: 67729-52-6
• Molecular Formula: C27H31ClN2O8S
• Molecular Weight: 579.0616

Synonyms:VUFB-12257;1-(1-(5-Chloro-2-(phenylthio)phenyl)ethyl)-4-methylpiperazine (Z)-2-butenedioate (1:2);4-Chloro-2-(1-(4-methylpiperazino)ethyl)diphenyl sulfide bis(hydrogen maleate);Piperazine, 1-(1-(5-chloro-2-(phenylthio)phenyl)ethyl)-4-methyl-, (Z)-2-butenedioate (1:2);67729-52-6;LS-111363

Chemical Property of 1-(1-(5-Chloro-2-(phenylthio)phenyl)ethyl)-4-methylpiperazine (Z)-2-butenedioate (1:2)

Chemical Property:

• Vapor Pressure: 8.51E-08mmHg at 25°C
• Boiling Point: 435.8°Cat760mmHg
• Flash Point: 217.4°C
• PSA: 180.98000
• Density: g/cm³
• LogP: 4.09900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 578.1489648
• Heavy Atom Count: 39
• Complexity: 472

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=C(C=CC(=C1)Cl)SC2=CC=CC=C2)N3CCN(CC3)C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC(N1CCN(CC1)C)C2=C(C=CC(=C2)Cl)SC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

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