2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00186 |
| Mol. Weight | 156.261 g/mol |
| LogP | 2.96 |
| Water solubility | 0.00138 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 2 |
| XLogP3-AA | 2.5 |
| Identifiers | |
|---|---|
| Formula | C7H8S2 |
| PubChem CID | 84234 |
| FEMA | 3872 |
| Flavor Profile | Floral |
| Smiles | CSSc1ccccc1 |
| InChl Key | LMSQHVXHZCNJEP-UHFFFAOYSA-N |
| InChl | InChI=1S/C7H8S2/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3 |
| CAS Registry Number | 14173-25-2 |
| IUPAC Systematic Name | (methyldisulfanyl)benzene |
Organ Location Map/System Distribution of Pungent Flavor Compounds’ Targets
Note: Known Targets (Gene) from 6952 literatures, DrugBank (http://www.drugbank.ca/), STITCH (http://stitch.embl.de/), ChEMBL (https://www.ebi.ac.uk/chembl/), Therapeutic Target Database (http://bidd.nus.edu.sg/group/ttd/), and Comparative Toxicogenomics Database (CTD, http://ctdbase.org/)
| English Name | Pinyin Name (Chinese Name) | Latin Name | Properties in TCM | merdians | View Graph |
|---|---|---|---|---|---|
| NONE | NONE | NONE | NONE | NONE | View Graph |
Methyl phenyl disulfide is found in beverages. Methyl phenyl disulfide is found in cocoa. Methyl phenyl disulfide is a flavouring agent for baked goods, beverages and seasonings.
Note: Click anywhere in the blank, you can drag the whole dynamic diagram. Click on a node, you can drag his location to see it more clearly. The blue circle represents pharmacology, toxicology, or daily use. Orange hexagon represents the pungent compounds.
1. https://pubchem.ncbi.nlm.nih.gov/compound/84234