6-Isothiocyanato-3-phenyl-2H-1,4-benzoxazine

Base Information

• Chemical Name: 6-Isothiocyanato-3-phenyl-2H-1,4-benzoxazine
• CAS No.: 112181-72-3
• Molecular Formula: C15H10N2OS
• DSSTox Substance ID: DTXSID30548783

Synonyms:6-Isothiocyanato-3-phenyl-2H-1,4-benzoxazine;112181-72-3;DTXSID30548783

Chemical Property of 6-Isothiocyanato-3-phenyl-2H-1,4-benzoxazine

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 266.05138412
• Heavy Atom Count: 19
• Complexity: 397

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=NC2=C(O1)C=CC(=C2)N=C=S)C3=CC=CC=C3

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