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

Base Information

• Chemical Name: 5-Isothiocyanato-2-(pyridin-3-yl)-1,3-benzoxazole
• CAS No.: 61382-22-7
• Molecular Formula: C13H7N3OS
• ChEMBL ID: CHEMBL175160
• DSSTox Substance ID: DTXSID70509712

Synonyms:61382-22-7;5-Isothiocyanato-2-(pyridin-3-yl)-1,3-benzoxazole;CHEMBL175160;SCHEMBL11771147;DTXSID70509712

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

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 253.03098303
• Heavy Atom Count: 18
• Complexity: 345

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Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)N=C=S

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