Allyl Methyl Sulfide

• CAS: 10152-76-8
• Catalog Number: ACM-MO-10152768
• Category: Inhibitors; Allyl Monomers
• Molecular Weight: 88.17 g/mol
• Molecular Formula: C4H8S
• Description: Allyl methyl sulfide is a bioactive organosulfur compound found in garlic. Allyl methyl sulfide exhibits antibacterial, antioxidant and anticancer properties.
• Synonyms: 3-Methylthio-1-propene
• IUPAC Name: 3-Methylsulfanylprop-1-ene
• Canonical SMILES: CSCC=C
• InChI: InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3
• InChI Key: NVLPQIPTCCLBEU-UHFFFAOYSA-N
• Boiling Point: 92 °C
• Flash Point: 18 °C
• Density: 0.803 g/mL at 25 °C(lit.)
• Appearance: Colorless to Almost Colorless Clear Liquid
• Complexity: 24.8
• Covalently-Bonded Unit Count: 1
• EC Number: 233-422-0
• Exact Mass: 88.03467143
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 5
• Monoisotopic Mass: 88.03467143
• Physical State: Liquid
• Refractive Index: 1.47
• Rotatable Bond Count: 2
• Specific Gravity: 0.88
• Storage Conditions: 2-8 °C
• Topological Polar Surface Area: 25.3 Ų
• UNII: V7QI1R316C
• XLogP3: 1.5