2-Ethyl-5-methyl-2,3-dihydro-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone

Base Information

• Chemical Name: 2-Ethyl-5-methyl-2,3-dihydro-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone
• CAS No.: 58951-11-4
• Molecular Formula: C7H12O4S2
• Molecular Weight: 224.29800
• DSSTox Substance ID: DTXSID20513001

Synonyms:58951-11-4;SCHEMBL11398740;DTXSID20513001;2-Ethyl-5-methyl-2,3-dihydro-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone

Chemical Property of 2-Ethyl-5-methyl-2,3-dihydro-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone

Chemical Property:

• PSA: 85.04000
• LogP: 2.63110
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 224.01770121
• Heavy Atom Count: 13
• Complexity: 416

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CS(=O)(=O)C(=CS1(=O)=O)C

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