4-Isothiazolecarbonitrile, 5-chloro-3-(methylthio)-

Base Information

• Chemical Name: 4-Isothiazolecarbonitrile, 5-chloro-3-(methylthio)-
• CAS No.: 54798-93-5
• Molecular Formula: C5H3ClN2S2
• Molecular Weight: 190.67
• DSSTox Substance ID: DTXSID801234078
• Nikkaji Number: J103.893A
• Mol file: 54798-93-5.mol

Synonyms:5-Chloro-3-methylthio-4-isothiazolecarbonitrile;54798-93-5;4-Isothiazolecarbonitrile, 5-chloro-3-(methylthio)-;DTXSID801234078;5-Chloro-3-(methylthio)-4-isothiazolecarbonitrile;5-Chloro-3-(methylsulfanyl)-4-isothiazolecarbonitrile #

Chemical Property of 4-Isothiazolecarbonitrile, 5-chloro-3-(methylthio)-

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 189.9426181
• Heavy Atom Count: 10
• Complexity: 166

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CSC1=NSC(=C1C#N)Cl