2-Butyl-3-prop-2-enylthian-4-one

Base Information

• Chemical Name: 2-Butyl-3-prop-2-enylthian-4-one
• CAS No.: 122502-58-3
• Molecular Formula: C₁₂H₂₀OS
• Molecular Weight: 212.356
• DSSTox Substance ID: DTXSID401209659
• Mol file: 122502-58-3.mol

Synonyms:122502-58-3;DTXSID401209659;2-Butyltetrahydro-3-(2-propen-1-yl)-4H-thiopyran-4-one

Chemical Property of 2-Butyl-3-prop-2-enylthian-4-one

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 212.12348643
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC1C(C(=O)CCS1)CC=C