Benzothiazole
fo-3cda9d11e0e82fb5
Identity
- Type
- Neutral molecule
- CAS
- 95-16-9
- EC
- 202-396-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
What it is used for
1
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| environmental contaminant CHEBI:78298 | Any minor or unwanted substance introduced into the environment that can have undesired effects. | ChEBI |
Alternative labels
7- 1,3-benzothiazole
- 1-Thia-3-azaindene
- Benzo[d]thiazole
- Benzosulfonazole
- Benzothiazol
- BT
- Vangard BT
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | IOJUPLGTWVMSFF-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H |
| IUPAC name chemrof:IUPAC_name | Benzothiazole |
| Molecular formula chemrof:molecular_formula | C7H5NS |
| Molecular mass chemrof:molecular_mass | 135.191 |
| Monoisotopic mass chemrof:monoisotopic_mass | 135.01427 |
| SMILES string chemrof:smiles_string | c1ccc2scnc2c1 |
Known URLs
23Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=95-16-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:45993 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.179 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7024586 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB08624 | enrich_references.chebi_xrefs |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8040 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL510309 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/benzothiazole | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G5BW2593EP | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0032930 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J40.177C | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45792 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:THZ | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7222 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019689 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15750776 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18568896 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23500410 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24248888 | enrich_references.chebi_xrefs |
| reaxys | reaxys:109468 | enrich_references.chebi_xrefs |
| umbbd.compound | umbbd.compound:c1128 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q419096 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Benzothiazole | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| bde53dc7-b43d-40e8-8a9b-e2b6dfecdf4c | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| e7a8927f-dbe0-415b-a6fb-d807ec35ff96 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 7148fe8f-8e9e-45b9-9198-c7aad5fb3a21 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 221bb457-893c-431d-a838-a4385cc315bf | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 25ea96f4-3ad0-4af9-893b-bd9ac5ff07b6 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| e3ed026e-3572-4dc9-bfec-6c4d040621e3 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 62df7dbe-2f2f-4559-a884-e1ba84bba69d | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| c931fba9-1949-461b-bae9-9c688794f705 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 14554199-c442-4b0b-acb5-a88568dce63f | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 91003f3f-0d43-4788-8b54-418139d15007 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| febdfa57-efd0-4b25-b6ba-52ed1c31266e | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| b281a4b7-290c-47c3-98d2-5c862151fadc | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| b76b64a5-8f29-4c6a-a80c-b6c1f0c7eba6 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works