1-((3-(Methylthio)phenyl)methyl)piperazine (Z)-2-butenedioate (1:1)

Base Information

• Chemical Name: 1-((3-(Methylthio)phenyl)methyl)piperazine (Z)-2-butenedioate (1:1)
• CAS No.: 59083-71-5
• Molecular Formula: C16H22N2O4S
• Molecular Weight: 338.4219
• Mol file: 59083-71-5.mol

Synonyms:1-((3-(Methylthio)phenyl)methyl)piperazine (Z)-2-butenedioate (1:1);Piperazine, 1-((3-(methylthio)phenyl)methyl)-, (Z)-2-butenedioate (1:1);59083-71-5;LS-113005

Chemical Property of 1-((3-(Methylthio)phenyl)methyl)piperazine (Z)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 8.02E-05mmHg at 25°C
• Boiling Point: 341.5°Cat760mmHg
• Flash Point: 160.3°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 338.13002836
• Heavy Atom Count: 23
• Complexity: 299

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=CC(=C1)CN2CCNCC2.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CSC1=CC=CC(=C1)CN2CCNCC2.C(=C/C(=O)O)\C(=O)O