2-(3-Methylbutoxy)-3a,7a-dihydro-2H-1,3-benzodithiole

Base Information

• Chemical Name: 2-(3-Methylbutoxy)-3a,7a-dihydro-2H-1,3-benzodithiole
• CAS No.: 131549-15-0
• Molecular Formula: C₁₂H₁₆O₃S₂
• Molecular Weight: 272.389
• DSSTox Substance ID: DTXSID30700041

Synonyms:DTXSID30700041;2-(3-Methylbutoxy)-3a,7a-dihydro-2H-1,3-benzodithiole;131549-15-0

Chemical Property of 2-(3-Methylbutoxy)-3a,7a-dihydro-2H-1,3-benzodithiole

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 242.07990754
• Heavy Atom Count: 15
• Complexity: 240

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCOC1SC2C=CC=CC2S1

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