Dataset
![molecular Image]()
Dimethoate
Chemical Info
| InChI | InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7) |
|---|---|
| SMILES | CNC(=O)CSP(=S)(OC)OC |
| InChI Key | MCWXGJITAZMZEV-UHFFFAOYSA-N |
| Molecular Formula | C5H12NO3PS2 |
| Exact Mass | 229.000 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF400304 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:49:00.999283 |
| MetadataModified | 2025-02-09T19:47:43.180085 |
| MetadataPublished | 2017-01-05 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| SCHEMBL18159 | SureChEMBL |
| 20209451 | NMRShiftDB |
| SCHEMBL20525536 | SureChEMBL |
| 29947 | Brenda |
| PD080613 | ProbesDrugs |
| W6U08B045O | FDA SRS |
| 14994528 | PubChem: Thomson Pharma |
| 60-51-5 | ACToR |
| 11003-53-5 | ACToR |
| LSM-24992 | LINCS |
| CHEMBL1569524 | ChEMBL |
| 34714 | ChEBI |
| C14326 | KEGG Ligand |
| ZINC000002041343 | ZINC |
| J1.926G | Nikkaji |
| HMDB0251379 | Human Metabolome Database |
| IPCPYB | CCDC |
| HY-B1946 | MedChemExpress |
| DTXSID7020479 | EPA CompTox Dashboard |
| 502049 | eMolecules |
| CB0459837 | ChemicalBook |
| 3082 | PubChem |
| The data in this table is sourced from UniChem at EBI. | |