2-[3-(Dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-thiocyanatobenzoate;hydrochloride

Base Information

• Chemical Name: 2-[3-(Dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-thiocyanatobenzoate;hydrochloride
• CAS No.: 4158-89-8
• Molecular Formula: C25H22ClN3O3S
• Molecular Weight: 479.9785
• Mol file: 4158-89-8.mol

Synonyms:

Chemical Property of 2-[3-(Dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-thiocyanatobenzoate;hydrochloride

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 108.84000
• Density: g/cm³
• LogP: 5.40478
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 479.1070404
• Heavy Atom Count: 33
• Complexity: 901

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)SC#N)C(=O)[O-].Cl