precursor

Showing entry for Diethyl tetrasulfide

Identification

PhytoHub ID
PHUB000768
Name
Diethyl tetrasulfide
Systematic Name
Not Available
Synonyms
  • Dipropyl tetrasulfide
CAS Number
Not Available
Average Mass
214.42
Monoisotopic Mass
213.997835147
Chemical Formula
C6H14S4
IUPAC Name
dipropyltetrasulfane
InChI Key
GJKGKILUTIBVOI-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C6H14S4/c1-3-5-7-9-10-8-6-4-2/h3-6H2,1-2H3
SMILES
CCCSSSSCCC
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.06e-01 g/l
LogS (ALOGPS)
-3.31
LogP (ALOGPS)
3.35
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
7
Polar Surface Area
0.0
Refractivity
57.1484
Polarizability
22.97824730141813
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
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

No spectra information available

Spectra from Phytohub

Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-002f-9200000000-20af8207ef34510d2f8b2017-07-27View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-5390000000-35aaaafe9694f393f3052016-08-01View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-05dl-9610000000-e40a422a21dfc33700752016-08-01View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9100000000-5a04363ca84f0165e9f22016-08-01View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-5890000000-f5bfdde9bf38ac8525912016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-01t9-9520000000-18e87c9f18ffb359f41f2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000f-9700000000-e4ac3c44ceab71c519b02016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0gvk-9500000000-ed8f37f36b699e623d1a2021-10-21View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-9000000000-b82ac9da4f302da37e762021-10-21View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03dj-9100000000-fe9529cf186b35b07d142021-10-21View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-5900000000-e19460ee7e72eaf9f5c42021-10-21View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-9000000000-7f1b8c02600469ebb9fa2021-10-21View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9000000000-e1199a50d05b7a14c78c2021-10-21View Spectrum

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

Back