Identification

PhytoHub ID
PHUB000756
Name
Diallyl sulfide
Synonyms
  • Allyl sulfide
  • DAS
  • Diallyl monosulphide
  • Thioallyl ether
CAS Number
Not Available
Average Mass
114.209
Monoisotopic Mass
114.05032101
Chemical Formula
C6H10S
IUPAC Name
oil garlic
InChI Key
UBJVUCKUDDKUJF-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2
SMILES
C=CCSCC=C
Structure

Calculated Properties

Solubility (ALOGPS)
2.64e-01 g/l
LogS (ALOGPS)
-2.64
LogP (ALOGPS)
2.12
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
4
Polar Surface Area
0.0
Refractivity
37.3155
Polarizability
13.616672247027505
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Miscellaneous phytochemicals
Class
Thiosulfinates
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP009125MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
GarlicVegetables, Onion-family PublicationsShow

Metabolism

No metabolism information available

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