Dibenzothiophene
fo-86e9d1f727be390e
Identity
- Type
- Neutral molecule
- CAS
- 132-65-0
- EC
- 205-072-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
7- 2,2′-Biphenylylene sulfide
- 9-thiafluorene
- [1,1'-biphenyl]-2,2'-diyl sulfide
- [1,1′-Biphenyl]-2,2′-diyl sulfide
- alpha-thiafluorene
- dibenzo[b,d]thiophene
- diphenylene sulfide
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | IYYZUPMFVPLQIF-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H |
| IUPAC name chemrof:IUPAC_name | Dibenzothiophene |
| Molecular formula chemrof:molecular_formula | C12H8S |
| Molecular mass chemrof:molecular_mass | 184.263 |
| Monoisotopic mass chemrof:monoisotopic_mass | 184.03467, 184.034671 |
| SMILES string chemrof:smiles_string | c1ccc2c(c1)sc1ccccc12 |
Known URLs
28Where 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=132-65-0 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:23681 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.004.613 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0047741 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2843 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=756732 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL219828 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:83631 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z3D4AJ1R48 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0251165 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.523B | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/D03777 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C20125 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D03777 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53911 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47484 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/3023 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018352 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15092946 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16232582 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16268154 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16391083 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17616875 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21750993 | enrich_references.chebi_xrefs |
| reaxys | reaxys:121101 | enrich_references.chebi_xrefs |
| umbbd.compound | umbbd.compound:c0118 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q544767 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Dibenzothiophene | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 72929e1f-f04f-40e9-a285-671205675695 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 9929392b-57dd-422c-ba9f-9359773383d0 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| e06259eb-e61c-4a30-8369-4caf7aeab6db | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 1d89a639-5609-4e19-9bfb-0775a966bdc3 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 883b1d9d-c24e-4389-aa13-28e80532d004 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 836f270d-431e-4b3f-81bf-1ab5dda7968a | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| d592047b-2bc4-49e8-81e1-2856eb170ff5 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 3a031809-06f1-42fc-a41d-75d150ed8056 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| bfb265ef-fcde-4a88-aba4-0ac284138208 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| fdb13a4a-e80b-4565-b20c-76080bf17e4f | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 22ac6509-c517-4ae5-8f73-8ebcef5b7125 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 8347f066-8271-42c1-9350-bfae9d5586c9 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| c2ab502f-eb8d-47de-ad6e-4114e8aacc27 | 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