2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00190 |
| Mol. Weight | 87.14 g/mol |
| LogP | 1.43 |
| Water solubility | 0.0162 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 1 |
| XLogP3 | 1.5 |
| Identifiers | |
|---|---|
| Formula | C3H5NS |
| PubChem CID | 10966 |
| FEMA | 4420 |
| Flavor Profile | Horseradish-Like Odor, Savory |
| Smiles | CCN=C=S |
| InChl Key | HBNYJWAFDZLWRS-UHFFFAOYSA-N |
| InChl | InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3 |
| CAS Registry Number | 542-85-8 |
| IUPAC Systematic Name | isothiocyanatoethane |
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 |
|---|---|---|---|---|---|
| Bunge Pricklyash Equivalent plant: Zanthoxylum sch | Hua Jiao (花椒) | Zanthoxyli Pericarpium | Warm,Pungent | Spleen, Stomach, Kidney, Lung | View Graph |
| Brassica juncea | Jie Zi(芥子) | India Mustard Seed | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
E t h y l i s o t h i o c y a n a t e i s a n i s o t h i o c y a n a t e h a v i n g a n e t h y l g r o u p a t t a c h e d t o t h e n i t r o g e n . I t h a s a r o l e a s a n a l l e r g e n . I t s o r d o r i s p u n g e n t m u s t a r d g a r l i c
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/10966#section=Top
2. http://www.thegoodscentscompany.com/data/rw1245361.html
3. Wu, H., Zhang, X., Zhang, G. A., Zeng, S. Y., & Lin, K. C. Antifungal Vapour‐phase Activity of a Combination of Allyl Isothiocyanate and Ethyl Isothiocyanate Against Botrytis cinerea and Penicillium expansum Infection on Apples[J]. Journal of Phytopathology, 2011, 159(6): 450-455.