2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00108 |
| Mol. Weight | 73.113 g/mol |
| LogP | 1.07 |
| Water solubility | 0.0437 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 0 |
| XLogP3 | 0.9 |
| Identifiers | |
|---|---|
| Formula | C2H3NS |
| PubChem CID | 11167 |
| FEMA | 4426 |
| Flavor Profile | Horseradish-Like Odor, Savory |
| Smiles | CN=C=S |
| InChl Key | LGDSHSYDSCRFAB-UHFFFAOYSA-N |
| InChl | InChI=1S/C2H3NS/c1-3-2-4/h1H3 |
| CAS Registry Number | 556-61-6 |
| IUPAC Systematic Name | methylimino(sulfanylidene)methane |
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 |
Methyl isothiocyanate is the organosulfur compound with the formula CH3N=C=S. This low melting colorless solid is a powerful lachrymator. As a precursor to a variety of valuable bioactive compounds, it is the most important organic isothiocyanate in industry.MITC is a dangerous lachrymator as well as being poisonous and genotoxic.
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. Kassie, F., Laky, B., Nobis, E., Kundi, M., & Knasmüller, S. Genotoxic effects of methyl isothiocyanate[J]. Mutation Research/Genetic Toxicology and Environmental Mutagenesis, 2001, 490(1): 1-9.
2. Spokas K, Wang D, Venterea R. Greenhouse gas production and emission from a forest nursery soil following fumigation with chloropicrin and methyl isothiocyanate[J]. Soil Biology and Biochemistry, 2005, 37(3): 475-485.
3. Romanowski F, Klenk H. Thiocyanates and isothiocyanates, organic[J]. Ullmann's Encyclopedia of Industrial Chemistry, 2000.