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

Base Information

• Chemical Name: 4-Isothiazolecarbonitrile, 3-chloro-5-(3-thienyl)-
• CAS No.: 647016-66-8
• Molecular Formula: C8H3ClN2S2
• Molecular Weight: 226.70600
• DSSTox Substance ID: DTXSID80448865
• Nikkaji Number: J1.943.816C
• Wikidata: Q82268049

Synonyms:647016-66-8;4-Isothiazolecarbonitrile, 3-chloro-5-(3-thienyl)-;DTXSID80448865;5-(3-Thienyl)-3-chloroisothiazole-4-carbonitrile

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

Chemical Property:

• Boiling Point: 270.7±32.0 °C(Predicted)
• PSA: 93.16000
• Density: 1.57±0.1 g/cm3(Predicted)
• LogP: 3.39668
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 225.9426181
• Heavy Atom Count: 13
• Complexity: 240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC=C1C2=C(C(=NS2)Cl)C#N

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