3-(Methylsulfanyl)-7-nitro-2H-1,4-benzoxazine

Base Information

• Chemical Name: 3-(Methylsulfanyl)-7-nitro-2H-1,4-benzoxazine
• CAS No.: 81946-53-4
• Molecular Formula: C₉H₈N₂O₃S
• Molecular Weight: 224.24
• DSSTox Substance ID: DTXSID40510057
• Wikidata: Q82368086

Synonyms:81946-53-4;3-(Methylsulfanyl)-7-nitro-2H-1,4-benzoxazine;SCHEMBL8138978;DTXSID40510057

Chemical Property of 3-(Methylsulfanyl)-7-nitro-2H-1,4-benzoxazine

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 224.02556330
• Heavy Atom Count: 15
• Complexity: 290

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC2=C(C=C(C=C2)[N+](=O)[O-])OC1

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