Allicin
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Allicin

CAS 539-86-6
Structure
Synonyms 2-Propene-1-sulfinothioic acid S-allyl ester
IUPAC Name 3-Prop-2-enylsulfinylsulfanylprop-1-ene
Molecular Weight 162.27
Molecular Formula C6H10OS2
Canonical SMILES C=CCSS(=O)CC=C
InChI InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
InChI Key JDLKFOPOAOFWQN-UHFFFAOYSA-N
Boiling Point 259 °C
Melting Point 25 °C
Purity 98%
Density 1.112 g/ml
pKa 1.112
Solubility in Water 24 g/L
Appearance Liquid

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