Dipropyl trisulfide
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
Structure for Dipropyl trisulfide
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
External Links
- PubChem
- 22383
- Chemistry Dashboard
- DTXSID5047401
- FooDB (Compounds)
- FDB010801
- PeakForestCompound
- 000591
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 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