precursor

Showing entry for Dimethyl tetrasulfide

Identification

PhytoHub ID
PHUB000767
Name
Dimethyl tetrasulfide
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
158.31
Monoisotopic Mass
157.935234889
Chemical Formula
C2H6S4
IUPAC Name
dimethyltetrasulfane
InChI Key
NPNIZCVKXVRCHF-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3
SMILES
CSSSSC
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
8.89e-01 g/l
LogS (ALOGPS)
-2.25
LogP (ALOGPS)
1.04
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
3
Polar Surface Area
0.0
Refractivity
38.6588
Polarizability
15.117830574612988
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
Number of Rings
0
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Miscellaneous phytochemicals
Class
Miscellaneous phytochemicals
Sub-class
Not Available

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Sulfenyl compounds
Super-class
Organosulfur compounds
Sub-class
Not Available
Direct Parent Name
Sulfenyl compounds
Alternative Parent Names
["Hydrocarbon derivatives"]
External Descriptor Annotations
Not Available
Substituent Names
["Aliphatic acyclic compound", "Hydrocarbon derivative", "Sulfenyl compound"]

Spectra from Online Resources

Record IDSourceDescriptionView
JP000917MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
GarlicVegetables, Onion-family PublicationsShow
OnionVegetables, Onion-family PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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