Bithionol
fo-7777bc26f90d472a
Identity
- Type
- Neutral molecule
- CAS
- 97-18-7
- EC
- 202-565-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
What it is used for
3
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 |
|---|---|---|
| agrochemical CHEBI:33286 | An agrochemical is a substance that is used in agriculture or horticulture. | ChEBI |
| fungicide CHEBI:24127 | A substance used to destroy fungal pests. | ChEBI |
| pesticide CHEBI:25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | ChEBI |
Alternative labels
26- 2,2'-Dihydroxy-3,3',5,5'-tetrachlorodiphenyl sulfide
- 2,2'-sulfanediylbis(4,6-dichlorophenol)
- 2,2'-Thiobis(4,6-dichlorophenol)
- 2,2-Thiobis(4,6-dichlorophenol)
- 2,2′-Dihydroxy-3,3′,5,5′-tetrachlorodiphenyl sulfide
- 2,2′-Thiobis[4,6-dichlorophenol]
- 2,4-Dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol
- 2,4-Dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)sulfanyl]phenol
- 2-Hydroxy-3,5-dichlorophenyl sulfide
- 2-Hydroxy-3,5-dichlorophenyl sulphide
- Actamer
- Bidiphen
- Bis(2-hydroxy-3,5-dichlorophenyl) sulfide
- Bis(3,5-dichloro-2-hydroxyphenyl) sulfide
- Bisoxyphen
- Bithin
- Bithionol sulfide
- Bitin
- Bitionol
- Lorothidol
- Lorothiodol
- MeSH ID: D001735
- Neopellis
- Phenol, 2,2′-thiobis[4,6-dichloro-
- TKhSD
- Vancide BL
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | JFIOVJDNOJYLKP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H |
| IUPAC name chemrof:IUPAC_name | 2,2'-Thiobis(4,6-dichlorophenol) |
| Molecular formula chemrof:molecular_formula | C12H6Cl4O2S |
| Molecular mass chemrof:molecular_mass | 356.057 |
| Monoisotopic mass chemrof:monoisotopic_mass | 353.88426, 353.884261 |
| SMILES string chemrof:smiles_string | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O |
Known URLs
34Where 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 |
|---|---|---|
| beilstein | beilstein:2003535 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=97-18-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3131 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.333 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9021342 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB04813 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB04813 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:3032 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/3032 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=47129 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9872 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL290106 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AMT77LS62O | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0249278 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.438E | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C07967 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00802 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07967 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00802 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-2862 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53014 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77030 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:B1T | enrich_references.chebi_xrefs |
| pesticides | pesticides:bithionol | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL290106 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:2889 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/2406 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2811 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=007945 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17129675 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24495391 | enrich_references.chebi_xrefs |
| vsdb | vsdb:2889 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q4918862 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Bithionol | enrich_references.chebi_xrefs |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f530c08b-c476-4d96-a056-6205d5b7036e | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| a78732f9-057d-4f0f-9203-4ab778709e31 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 059dfaa6-6ef2-4772-95f4-e44bbe20e686 | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| 4d582c00-aaaa-46e5-8d5f-c719d1e51a77 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| df9e85bd-88d3-4500-af71-695d4a73260a | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| de2238f2-2092-417a-8ad8-a59a8290bcf7 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| a1d4cdaf-cc23-4a26-8ce1-291416499273 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 4450dec8-7128-41fd-9e84-7faeaac23de7 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| b0a809da7e194a51f03901d2fc35aa71d5c6cb10 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 8d18c6f1-dcbd-4366-b01f-236e6b09b0b6 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 3dbe05dd-4dbc-4c33-a893-a56300fd34e2 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 77325997-6cf0-4cd6-b7b4-c8646cb7a53d | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 143ae456-3ae4-4b9b-a5ef-37788a09eec5 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 63bb8249-ba1f-472f-9872-5246d391b0d7 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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},
{
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{
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{
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{
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{
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},
{
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{
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{
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{
"@value": "Phenol, 2,2′-thiobis[4,6-dichloro-",
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},
{
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},
{
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],
"properties": {
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"attested_by": {
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},
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{
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},
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"rdfs:label": "SMILES",
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{
"@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
"rdfs:label": "pesticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
}
]
}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