6-Nitrothiochroman-4-one

Base Information

• Chemical Name: 6-Nitrothiochroman-4-one
• CAS No.: 89444-03-1
• Molecular Formula: C9H7NO3S
• DSSTox Substance ID: DTXSID00602982
• Wikidata: Q82500201

Synonyms:6-Nitrothiochroman-4-one;89444-03-1;4H-1-Benzothiopyran-4-one, 6-nitro-2,3-dihydro-;6-nitro-2,3-dihydrothiochromen-4-one;SCHEMBL7282;DTXSID00602982;DA-01394;6-Nitro-2,3-dihydro-4H-1-benzothiopyran-4-one

Chemical Property of 6-Nitrothiochroman-4-one

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 209.01466426
• Heavy Atom Count: 14
• Complexity: 263

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

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