Dataset
![molecular Image]()
Methylchloroisothiazolinone
Chemical Info
| InChI | InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3 |
|---|---|
| SMILES | CN1SC(Cl)=CC1=O |
| InChI Key | DHNRXBZYEKSXIM-UHFFFAOYSA-N |
| Molecular Formula | C4H4ClNOS |
| Exact Mass | 148.970 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-Athens_Univ-AU287102 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T08:50:20.273378 |
| MetadataModified | 2025-02-08T19:11:47.184498 |
| MetadataPublished | 2019-05-31 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CB4132565 | ChemicalBook |
| 68958 | Brenda |
| PD013634 | ProbesDrugs |
| 14747874 | PubChem: Thomson Pharma |
| SCHEMBL20686 | SureChEMBL |
| 33344 | PubChem |
| DEL7T5QRPN | FDA SRS |
| 55965-84-9 | ACToR |
| 26172-55-4 | ACToR |
| 137662-59-0 | ACToR |
| 474168 | eMolecules |
| DB14197 | DrugBank |
| J40.688K | Nikkaji |
| 5-CHLORO-2-METHYL-4-ISOTHIAZOLIN-3-ONE | rxnorm |
| ZINC000002002061 | ZINC |
| XIFRIO | CCDC |
| HMDB0246766 | Human Metabolome Database |
| DTXSID9034286 | EPA CompTox Dashboard |
| CHEMBL1738962 | ChEMBL |
| 53621 | ChEBI |
| The data in this table is sourced from UniChem at EBI. | |