6-(3-Hydroxy-3-methylbut-1-yn-1-yl)-4,4-dimethylthiochroman 1-oxide

Base Information

• Chemical Name: 6-(3-Hydroxy-3-methylbut-1-yn-1-yl)-4,4-dimethylthiochroman 1-oxide
• CAS No.: 864841-54-3
• Molecular Formula: C₁₆H₂₀O₂S
• Molecular Weight: 276.4
• DSSTox Substance ID: DTXSID90469162
• Mol file: 864841-54-3.mol

Synonyms:864841-54-3;6-(3-Hydroxy-3-methylbut-1-yn-1-yl)-4,4-dimethylthiochroman 1-oxide;starbld0004637;AGN-PC-00CAG8;SCHEMBL5419989;DTXSID90469162

Chemical Property of 6-(3-Hydroxy-3-methylbut-1-yn-1-yl)-4,4-dimethylthiochroman 1-oxide

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 276.11840105
• Heavy Atom Count: 19
• Complexity: 438

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCS(=O)C2=C1C=C(C=C2)C#CC(C)(C)O)C