Piperazine, 4-(1-(5-chloro-2-((3,4-dichlorophenyl)thio)phenyl)ethyl)-1-methyl-, (Z)-2-butenedioate, hydrate (1:2:1)

Base Information

• Chemical Name: Piperazine, 4-(1-(5-chloro-2-((3,4-dichlorophenyl)thio)phenyl)ethyl)-1-methyl-, (Z)-2-butenedioate, hydrate (1:2:1)
• CAS No.: 112446-51-2
• Molecular Formula: C27H29Cl3N2O8S
• Molecular Weight: 647.9518
• Mol file: 112446-51-2.mol

Synonyms:112446-51-2;Piperazine, 4-(1-(5-chloro-2-((3,4-dichlorophenyl)thio)phenyl)ethyl)-1-methyl-, (Z)-2-butenedioate, hydrate (1:2:1);C19H21Cl3N2S.2C4H4O4.H2O;C19-H21-Cl3-N2-S.2C4-H4-O4.H2-O;LS-111051

Chemical Property of Piperazine, 4-(1-(5-chloro-2-((3,4-dichlorophenyl)thio)phenyl)ethyl)-1-methyl-, (Z)-2-butenedioate, hydrate (1:2:1)

Chemical Property:

• Vapor Pressure: 5.41E-10mmHg at 25°C
• Boiling Point: 496.4°Cat760mmHg
• Flash Point: 254°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 646.071020
• Heavy Atom Count: 41
• Complexity: 538

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=C(C=CC(=C1)Cl)SC2=CC(=C(C=C2)Cl)Cl)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(=C(C=C3)Cl)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O