4-Methyl-3-nitro-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione

Base Information

• Chemical Name: 4-Methyl-3-nitro-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
• CAS No.: 35726-00-2
• Molecular Formula: C5H7NO4S
• DSSTox Substance ID: DTXSID80493991
• Mol file: 35726-00-2.mol

Synonyms:35726-00-2;DTXSID80493991;4-Methyl-3-nitro-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione

Chemical Property of 4-Methyl-3-nitro-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione

Chemical Property:

• XLogP3: -0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 177.00957888
• Heavy Atom Count: 11
• Complexity: 304

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CS(=O)(=O)CC1[N+](=O)[O-]

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