1H-Imidazole-1-carbothioic acid, 4,5-dihydro-2-(2-((2-methylphenyl)amino)ethyl)-5-oxo-4-(phenylmethylene)-, ((4-(dimethylamino)phenyl)methylene)hydrazide

Base Information

• Chemical Name: 1H-Imidazole-1-carbothioic acid, 4,5-dihydro-2-(2-((2-methylphenyl)amino)ethyl)-5-oxo-4-(phenylmethylene)-, ((4-(dimethylamino)phenyl)methylene)hydrazide
• CAS No.: 109901-84-0
• Molecular Formula: C29H30 N6 O S
• Molecular Weight: 510.663
• Mol file: 109901-84-0.mol

Synonyms:109901-84-0;1H-Imidazole-1-carbothioic acid, 4,5-dihydro-2-(2-((2-methylphenyl)amino)ethyl)-5-oxo-4-(phenylmethylene)-, ((4-(dimethylamino)phenyl)methylene)hydrazide;(4E)-4-benzylidene-2-[2-[4-(dimethylamino)anilino]ethyl]-N-[(E)-(2-methylphenyl)methylideneamino]-5-oxoimidazole-1-carbothioamide;HRTLUAMWWYQTEY-DVIYFVMSSA-N;C29-H30-N6-O-S;LS-78142

Chemical Property of 1H-Imidazole-1-carbothioic acid, 4,5-dihydro-2-(2-((2-methylphenyl)amino)ethyl)-5-oxo-4-(phenylmethylene)-, ((4-(dimethylamino)phenyl)methylene)hydrazide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 694.8°Cat760mmHg
• Flash Point: 374°C
• PSA: 111.46000
• Density: 1.19g/cm³
• LogP: 4.91120
• XLogP3: 6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 510.22018078
• Heavy Atom Count: 37
• Complexity: 870

Purity/Quality:

1H-IMIDAZOLE-1-CARBOTHIOIC ACID, 4,5-DIHYDRO-2-(2-((2-METHYLPHENYL)AMI NO)ETHYL)-5-OXO-4-(PHENYLMETHYLENE)-, ((4-(DIMETHYLAMINO)PHENYL)METHYL ENE)HYDRAZIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C=NNC(=S)N2C(=NC(=CC3=CC=CC=C3)C2=O)CCNC4=CC=C(C=C4)N(C)C
• Isomeric SMILES: CC1=CC=CC=C1/C=N/NC(=S)N2C(=N/C(=C/C3=CC=CC=C3)/C2=O)CCNC4=CC=C(C=C4)N(C)C