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Allyl Methyl Sulfide

Catalog Number
ACM10152768
CAS Number
10152-76-8
Product Name
Allyl Methyl Sulfide
Structure
Category
Monomers
Synonyms
3-Methylthio-1-propene
Description
Allyl methyl sulfide is a bioactive organosulfur compound found in garlic. Allyl methyl sulfide exhibits antibacterial, antioxidant and anticancer properties.
IUPAC Name
3-Methylsulfanylprop-1-ene
Molecular Weight
88.17
Molecular Formula
C4H8S
Canonical SMILES
CSCC=C
InChI
InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3
InChI Key
NVLPQIPTCCLBEU-UHFFFAOYSA-N
Boiling Point
91-93 °C
Flash Point
65 °F
Purity
95%+
Density
0.803 g/mL at 25 °C(lit.)
Complexity
24.8
Covalently-Bonded Unit Count
1
EC Number
233-422-0
Exact Mass
88.03467143
Formal Charge
0
Heavy Atom Count
5
MeSH Entry Terms
3-methylthio-1-propene;allyl methyl sulfide;allylmethylsulfide;methyl propenyl sulfide
Monoisotopic Mass
88.03467143
Refractive Index
n20/D 1.4714(lit.)
Rotatable Bond Count
2
Storage Conditions
2-8 °C
Topological Polar Surface Area
25.3 Ų
UNII
V7QI1R316C
XLogP3
1.5
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