5-Isothiocyanato-6-methoxy-2-(pyridin-3-yl)-1,3-benzothiazole

Base Information

• Chemical Name: 5-Isothiocyanato-6-methoxy-2-(pyridin-3-yl)-1,3-benzothiazole
• CAS No.: 61352-21-4
• Molecular Formula: C14H9N3OS2
• ChEMBL ID: CHEMBL177863
• DSSTox Substance ID: DTXSID30509718

Synonyms:61352-21-4;CHEMBL177863;SCHEMBL11783164;DTXSID30509718;YMNQQVHITFNVGP-UHFFFAOYSA-N;5-Isothiocyanato-6-methoxy-2-(pyridin-3-yl)-1,3-benzothiazole;5-Isothiocyanato-6-methoxy-2-(3-pyridinyl)benzothiazole

Chemical Property of 5-Isothiocyanato-6-methoxy-2-(pyridin-3-yl)-1,3-benzothiazole

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 299.01870427
• Heavy Atom Count: 20
• Complexity: 389

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)SC(=N2)C3=CN=CC=C3)N=C=S

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