4-Chloro-5-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl)-3H-1,2-dithiol-3-one

Base Information

• Chemical Name: 4-Chloro-5-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl)-3H-1,2-dithiol-3-one
• CAS No.: 135330-08-4
• Molecular Formula: C13H12ClNOS2
• Molecular Weight: 297.8235
• DSSTox Substance ID: DTXSID70928964
• Nikkaji Number: J475.978H
• Mol file: 135330-08-4.mol

Synonyms:4-chloro-5-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl)-3H-1,2-dithiol-3-one;RP 54745;RP-54745

Chemical Property of 4-Chloro-5-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl)-3H-1,2-dithiol-3-one

Chemical Property:

• Vapor Pressure: 5.59E-07mmHg at 25°C
• Boiling Point: 411.4°Cat760mmHg
• Flash Point: 202.6°C
• Density: 1.46g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 297.0048840
• Heavy Atom Count: 18
• Complexity: 399

Purity/Quality:

99.3% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=CC=CC=C2CCN1C3=C(C(=O)SS3)Cl