Dimethyl trisulfide
precursor
Showing entry for Dimethyl trisulfide
Identification
- PhytoHub ID
- PHUB000759
- Name
- Dimethyl trisulfide
- Systematic Name
- Not Available
- Synonyms
- 2,3,4-Trithiapentane
- Methyl trisulfide
- CAS Number
- Not Available
- Average Mass
- 126.25
- Monoisotopic Mass
- 125.963163715
- Chemical Formula
- C2H6S3
- IUPAC Name
- dimethyltrisulfane
- InChI Key
- YWHLKYXPLRWGSE-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3
- SMILES
CSSSC
- Structure
Structure for Dimethyl trisulfide
Calculated Properties
- Solubility (ALOGPS)
- 2.20e+00 g/l
- LogS (ALOGPS)
- -1.76
- LogP (ALOGPS)
- 1.26
- Hydrogen Acceptors
- 0
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 2
- Polar Surface Area
- 0.0
- Refractivity
- 32.903
- Polarizability
- 12.464733689804554
- 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
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
- ["organic trisulfide"]
- 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