Diethyl trisulfide
precursor
Showing entry for Diethyl trisulfide
Identification
- PhytoHub ID
- PHUB000765
- Name
- Diethyl trisulfide
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 154.3
- Monoisotopic Mass
- 153.994463844
- Chemical Formula
- C4H10S3
- IUPAC Name
- diethyltrisulfane
- InChI Key
- OPMRTBDRQRSNDN-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C4H10S3/c1-3-5-7-6-4-2/h3-4H2,1-2H3
- SMILES
CCSSSCC
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 4.64e-01 g/l
- LogS (ALOGPS)
- -2.52
- LogP (ALOGPS)
- 2.45
- Hydrogen Acceptors
- 0
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 4
- Polar Surface Area
- 0.0
- Refractivity
- 42.34460000000001
- Polarizability
- 16.479334482553018
- 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
External Links
- PubChem
- 77151
- Chemistry Dashboard
- DTXSID3063097
- FooDB (Compounds)
- FDB019137
- PeakForestCompound
- 000590
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
Name | Group | |||
---|---|---|---|---|
Garlic | Vegetables, Onion-family | Publications | Show | |
Onion | Vegetables, Onion-family | Publications | Show |
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