2-(1,2-Dihydro-2-oxo-1-(2-propenyl)-3H-indol-3-ylidene)-N,N-di-2-propenylhydrazinecarbothioamide

Base Information

• Chemical Name: 2-(1,2-Dihydro-2-oxo-1-(2-propenyl)-3H-indol-3-ylidene)-N,N-di-2-propenylhydrazinecarbothioamide
• CAS No.: 152128-80-8
• Molecular Formula: C18H20 N4 O S
• Molecular Weight: 340.44
• DSSTox Substance ID: DTXSID401112155
• Nikkaji Number: J556.662B
• Mol file: 152128-80-8.mol

Synonyms:A-IBDAT;N-allylisatin-beta-4',4'-diallylthiosemicarbazone

Chemical Property of 2-(1,2-Dihydro-2-oxo-1-(2-propenyl)-3H-indol-3-ylidene)-N,N-di-2-propenylhydrazinecarbothioamide

Chemical Property:

• Boiling Point: 465.8°Cat760mmHg
• PKA: 9.91±0.20(Predicted)
• Flash Point: 235.5°C
• PSA: 87.07000
• Density: 1.13g/cm³
• LogP: 2.94810
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 340.13578245
• Heavy Atom Count: 24
• Complexity: 497

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCN1C2=CC=CC=C2C(=C1O)N=NC(=S)N(CC=C)CC=C