precursor

Showing entry for Dipropyl trisulfide

Identification

PhytoHub ID
PHUB000766
Name
Dipropyl trisulfide
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
182.36
Monoisotopic Mass
182.025763973
Chemical Formula
C6H14S3
IUPAC Name
dipropyltrisulfane
InChI Key
GAZXPZNJTZIGBO-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3
SMILES
CCCSSSCCC
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.55e-01 g/l
LogS (ALOGPS)
-3.07
LogP (ALOGPS)
3.37
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
6
Polar Surface Area
0.0
Refractivity
51.3926
Polarizability
20.584333775289743
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
Yes
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
Organic trisulfides
Super-class
Organosulfur compounds
Sub-class
Not Available
Direct Parent Name
Organic trisulfides
Alternative Parent Names
["Hydrocarbon derivatives", "Sulfenyl compounds"]
External Descriptor Annotations
Not Available
Substituent Names
["Aliphatic acyclic compound", "Hydrocarbon derivative", "Organic trisulfide", "Sulfenyl compound"]

Spectra from Online Resources

No spectra information available

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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