Diethyl tetrasulfide
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
Structure for Diethyl tetrasulfide
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
External Links
- PubChem
- 104285
- Chemistry Dashboard
- DTXSID70200656
- PeakForestCompound
- 000593
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 Phytohub
Food Sources
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