Dataset
1,2-Benzisothiazol-3(2H)-one
Chemical Info
InChI | InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9) |
---|---|
SMILES | C1=CC=C2C(=C1)C(=O)NS2 |
InChI Key | DMSMPAJRVJJAGA-UHFFFAOYSA-N |
Molecular Formula | C7H5NOS |
Exact Mass | 151.009 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111015872 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T09:08:44.681591 |
MetadataModified | 2024-01-11T09:08:44.823584 |
MetadataPublished | 2023-11-10 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
MCULE-3257757873 | Mcule |
BZITHO | CCDC |
J7.640F | Nikkaji |
15219248 | PubChem: Thomson Pharma |
HRA0F1A4R3 | FDA SRS |
SCHEMBL26078 | SureChEMBL |
101964-01-6 | ACToR |
ZINC000002581983 | ZINC |
DTXSID5032523 | EPA CompTox Dashboard |
1,2-BENZISOTHIAZOLINE-3-ONE | rxnorm |
46658 | BindingDB |
CB1496512 | ChemicalBook |
147375 | Brenda |
17520 | PubChem |
10023846 | NMRShiftDB |
HMDB0034413 | Human Metabolome Database |
201997 | Brenda |
167099 | ChEBI |
CHEMBL297304 | ChEMBL |
521541 | eMolecules |
30424246 | eMolecules |
The data in this table is sourced from UniChem at EBI. |