3-Methyl-4-(nitromethyl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione

Base Information

• Chemical Name: 3-Methyl-4-(nitromethyl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
• CAS No.: 61639-97-2
• Molecular Formula: C6H9NO4S
• DSSTox Substance ID: DTXSID90491968
• Wikidata: Q82337194
• Mol file: 61639-97-2.mol

Synonyms:61639-97-2;DTXSID90491968;3-Methyl-4-(nitromethyl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione

Chemical Property of 3-Methyl-4-(nitromethyl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione

Chemical Property:

• XLogP3: -0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 191.02522894
• Heavy Atom Count: 12
• Complexity: 330

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(CS(=O)(=O)C1)C[N+](=O)[O-]