Methyl 3-methyl-5-isothiazolyl ketone thiosemicarbazone

Base Information

• Chemical Name: Methyl 3-methyl-5-isothiazolyl ketone thiosemicarbazone
• CAS No.: 3683-63-4
• Molecular Formula: C7H10N4S2
• Molecular Weight: 214.3111
• Mol file: 3683-63-4.mol

Synonyms:BRN 0521185;Methyl 3-methyl-5-isothiazolyl ketone thiosemicarbazone;1-(1-Methyl-1-(3-methyl-5-isothiazolyl))methylenethiosemicarbazide;KETONE, METHYL 3-METHYL-5-ISOTHIAZOLYL, THIOSEMICARBAZONE;Thiosemicarbazide, 1-(1-methyl-1-(3-methyl-5-isothiazolyl))methylene-;3683-63-4;LS-87286;[(E)-1-(3-methylisothiazol-5-yl)ethylideneamino]thiourea;Hydrazinecarbothioamide, 2-[1-(3-methyl-5-isothiazolyl)ethylidene]-, (2E)-

Chemical Property of Methyl 3-methyl-5-isothiazolyl ketone thiosemicarbazone

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Boiling Point: 287.5°Cat760mmHg
• PKA: 11.06±0.70(Predicted)
• Flash Point: 127.7°C
• PSA: 123.63000
• Density: 1.43g/cm³
• LogP: 2.09990
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 214.03468868
• Heavy Atom Count: 13
• Complexity: 229

Purity/Quality:

METHYL-3-METHYL-5-ISOTHIAZOLYL KETONE THIOSEMICARBAZONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NSC(=C1)C(=NNC(=S)N)C
• Isomeric SMILES: CC1=NSC(=C1)/C(=N/NC(=S)N)/C