2,1,3-Benzothiadiazole, 4,7-bis(4-pyridinylethynyl)-

Base Information

• Chemical Name: 2,1,3-Benzothiadiazole, 4,7-bis(4-pyridinylethynyl)-
• CAS No.: 344452-80-8
• Molecular Formula: C20H10N4S
• Molecular Weight: 338.38500
• DSSTox Substance ID: DTXSID00452343
• Nikkaji Number: J1.565.747B
• Wikidata: Q82272914

Synonyms:2,1,3-Benzothiadiazole, 4,7-bis(4-pyridinylethynyl)-;344452-80-8;DTXSID00452343;4,7-bis(4-pyridylethynyl)-2,1,3-benzothiadiazole;4,7-bis[(4-pyridyl)ethynyl]-2,1,3-benzothiadiazole

Chemical Property of 2,1,3-Benzothiadiazole, 4,7-bis(4-pyridinylethynyl)-

Chemical Property:

• PSA: 79.80000
• LogP: 3.28090
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 338.06261751
• Heavy Atom Count: 25
• Complexity: 530

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1C#CC2=CC=C(C3=NSN=C23)C#CC4=CC=NC=C4

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