Molecular Structure of Methyl allyl trisulfide (CAS NO.34135-85-8):
IUPAC Name: 3-(Methyltrisulfanyl)prop-1-ene
Molecular Formula: C4H8S3
Molecular Weight: 152.30
EINECS: 251-843-8
FEMA: 3253
XLogP3-AA: 2
H-Bond Donor: 0
H-Bond Acceptor: 0
Melting Point: < 25 °C
Index of Refraction: 1.588
Molar Refractivity: 44.29 cm3
Molar Volume: 131.5 cm3
Surface Tension: 40.6 dyne/cm
Density: 1.157 g/cm3
Flash Point: 82.9 °C
Enthalpy of Vaporization: 43.07 kJ/mol
Boiling Point: 212.7 °C at 760 mmHg
Vapour Pressure: 0.249 mmHg at 25 °C
log P (octanol-water): 2.720
Atmospheric OH Rate Constant: 4.85E-10 cm3/molecule-sec at 25 °C
Product Categories: sulfide Flavor
Canonical SMILES: CSSSCC=C
InChI: InChI=1S/C4H8S3/c1-3-4-6-7-5-2/h3H,1,4H2,2H3
InChIKey: JGMPRNFEEAJLAJ-UHFFFAOYSA-N
Methyl allyl trisulfide (CAS NO.34135-85-8), its Synonyms are Methyl 2-propenyl trisulfide ; Trisulfide, allyl methyl ; Allyl methyl trisulfide ; Allyl methyl trisulphide ; Trisulfide, methyl 2-propenyl .
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