Dataset
![molecular Image]()
Benzothiazole
Chemical Info
| InChI | InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CS2 |
| InChI Key | IOJUPLGTWVMSFF-UHFFFAOYSA-N |
| Molecular Formula | C7H5NS |
| Exact Mass | 135.014 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-Antwerp_Univ-AN124204 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T09:37:36.614164 |
| MetadataModified | 2025-02-08T18:51:56.301406 |
| MetadataPublished | 2021-09-04 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DTXSID7024586 | EPA CompTox Dashboard |
| AYUMEN | CCDC |
| HY-W012634 | MedChemExpress |
| 50444460 | BindingDB |
| ZINC000000019726 | ZINC |
| J40.177C | Nikkaji |
| CHEMBL510309 | ChEMBL |
| 45993 | ChEBI |
| HMDB0032930 | Human Metabolome Database |
| 177162 | Brenda |
| CB1720657 | ChemicalBook |
| MTBLC45993 | Metabolights |
| MCULE-5257468117 | Mcule |
| SCHEMBL8430 | SureChEMBL |
| 10023372 | NMRShiftDB |
| 7222 | PubChem |
| PD158294 | ProbesDrugs |
| G5BW2593EP | FDA SRS |
| 15363581 | PubChem: Thomson Pharma |
| 128366-28-9 | ACToR |
| 95-16-9 | ACToR |
| 477688 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |