3-Isothiazolyl methyl ketone thiosemicarbazone

Base Information

• Chemical Name: 3-Isothiazolyl methyl ketone thiosemicarbazone
• CAS No.: 3683-61-2
• Molecular Formula: C6H8N4S2
• Molecular Weight: 200.2845
• Mol file: 3683-61-2.mol

Synonyms:3-Isothiazolyl methyl ketone thiosemicarbazone;BRN 4791319;KETONE, 3-ISOTHIAZOLYL METHYL, THIOSEMICARBAZONE;1-(1-Isothiazol-3-yl-1-methyl)methylenethiosemicarbazide;Thiosemicarbazide, 1-(1-isothiazol-3-yl-1-methyl)methylene-;3683-61-2;LS-87261

Chemical Property of 3-Isothiazolyl methyl ketone thiosemicarbazone

Chemical Property:

• Vapor Pressure: 0.00717mmHg at 25°C
• Boiling Point: 269.6°Cat760mmHg
• Flash Point: 116.9°C
• PSA: 123.63000
• Density: 1.49g/cm³
• LogP: 1.79150
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 200.01903862
• Heavy Atom Count: 12
• Complexity: 204

Purity/Quality:

3-ISOTHIAZOLYL METHYL KETONE THIOSEMICARBAZONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NNC(=S)N)C1=NSC=C1
• Isomeric SMILES: C/C(=N\NC(=S)N)/C1=NSC=C1

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