3-(2-(Dimethylaminomethyl)phenylthio)benzonitrile hydrogen maleate

Base Information

• Chemical Name: 3-(2-(Dimethylaminomethyl)phenylthio)benzonitrile hydrogen maleate
• CAS No.: 139009-47-5
• Molecular Formula: C20H20N2O4S
• Molecular Weight: 384.4488
• Mol file: 139009-47-5.mol

Synonyms:VUFB 17699;3-(2-(Dimethylaminomethyl)phenylthio)benzonitrile hydrogen maleate;3-((2-((Dimethylamino)methyl)phenyl)thio)benzonitrile (Z)-2-butenedioate (1:1);Benzonitrile, 3-((2-((dimethylamino)methyl)phenyl)thio)-, (Z)-2-butenedioate (1:1);139009-47-5;C16H16N2S.C4H4O4;LS-38700;C16-H16-N2-S.C4-H4-O4

Chemical Property of 3-(2-(Dimethylaminomethyl)phenylthio)benzonitrile hydrogen maleate

Chemical Property:

• Vapor Pressure: 7.83E-06mmHg at 25°C
• Boiling Point: 375.4°C at 760 mmHg
• Flash Point: 180.8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 384.11437830
• Heavy Atom Count: 27
• Complexity: 439

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1=CC=CC=C1SC2=CC=CC(=C2)C#N.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN(C)CC1=CC=CC=C1SC2=CC=CC(=C2)C#N.C(=C/C(=O)O)\C(=O)O