Allyl methyl sulfoxide
precursor
Showing entry for Allyl methyl sulfoxide
Identification
- PhytoHub ID
- PHUB001859
- Name
- Allyl methyl sulfoxide
- Systematic Name
- Not Available
- Synonyms
- AMSO
- CAS Number
- Not Available
- Average Mass
- 104.17
- Monoisotopic Mass
- 104.029586052
- Chemical Formula
- C4H8OS
- IUPAC Name
- 3-methanesulfinylprop-1-ene
- InChI Key
- JWWFEYMQBBFIRT-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C4H8OS/c1-3-4-6(2)5/h3H,1,4H2,2H3
- SMILES
CS(=O)CC=C
- Structure
Structure for Allyl methyl sulfoxide
Calculated Properties
- Solubility (ALOGPS)
- 3.01e+01 g/l
- LogS (ALOGPS)
- -0.54
- LogP (ALOGPS)
- -0.02
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 2
- Polar Surface Area
- 17.07
- Refractivity
- 29.860300000000002
- Polarizability
- 10.905844827837473
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -8.042369242439426
- pKa (strongest acidic)
- 18.485054196992973
- Number of Rings
- 0
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Miscellaneous phytochemicals
- Class
- Not Available
- Sub-class
- Not Available
Taxonomy as Metabolite
- Metabolite Family
- Miscellaneous phytochemical metabolites
- Metabolite Class
- Miscellaneous phytochemical metabolites
- Metabolite Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Garlic sulphur-containing compounds | Miscellaneous phytochemicals | Not Available | Not Available | Show Food Phytochemical |
Spectra from Online Resources
No spectra information available
Spectra from Phytohub
|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
No food source information available of its precursor(s)
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Garlic sulphur-containing compounds | Allyl methyl sulfoxide | human | urine | Not Available | Not Available | Not Available | Not Available | C4H8OS | 104.029586052 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|