5-Isothiocyanato-2-(pyridin-2-yl)-1,3-benzothiazole

Base Information

• Chemical Name: 5-Isothiocyanato-2-(pyridin-2-yl)-1,3-benzothiazole
• CAS No.: 61352-17-8
• Molecular Formula: C13H7N3S2
• ChEMBL ID: CHEMBL174688
• DSSTox Substance ID: DTXSID90509714

Synonyms:61352-17-8;5-Isothiocyanato-2-(pyridin-2-yl)-1,3-benzothiazole;CHEMBL174688;SCHEMBL11778318;DTXSID90509714

Chemical Property of 5-Isothiocyanato-2-(pyridin-2-yl)-1,3-benzothiazole

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 269.00813958
• Heavy Atom Count: 18
• Complexity: 343

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Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C2=NC3=C(S2)C=CC(=C3)N=C=S

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