2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00188 |
| Mol. Weight | 132.265 g/mol |
| LogP | 3.26 |
| Water solubility | 0.000457 mol/L at 20 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 4 |
| XLogP3 | 3.3 |
| Identifiers | |
|---|---|
| Formula | C7H16S |
| PubChem CID | 522071 |
| FEMA | 4128 |
| Flavor Profile | None |
| Smiles | CCCCCC(C)S |
| InChl Key | DAZNOIJJVKASGS-UHFFFAOYSA-N |
| InChl | InChI=1S/C7H16S/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3 |
| CAS Registry Number | 628-00-2 |
| IUPAC Systematic Name | heptane-2-thiol |
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 |
2-Heptanethiol is used as a food additive.
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/522071