3-Hydroxy-4-(octylsulfanyl)-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione

Base Information

• Chemical Name: 3-Hydroxy-4-(octylsulfanyl)-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
• CAS No.: 87947-55-5
• Molecular Formula: C12H22O3S2
• DSSTox Substance ID: DTXSID10522329

Synonyms:87947-55-5;DTXSID10522329;3-Hydroxy-4-(octylsulfanyl)-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione

Chemical Property of 3-Hydroxy-4-(octylsulfanyl)-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 278.10103691
• Heavy Atom Count: 17
• Complexity: 341

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCSC1=CS(=O)(=O)CC1O

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