Thimerosal
fo-f6200303d2d15aaa
Identity
- Type
- Chemical salt
- CAS
- 54-64-8
- EC
- 200-210-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 60 across every transformer
Structure
Alternative labels
36- [(o-carboxyphenyl)thio]ethylmercury sodium salt
- Benzoic acid, 2-mercapto-, mercury complex
- Elcide 73
- Elicide
- ethyl(2-mercaptobenzoato-S)mercury sodium salt
- ethylmercurithiosalicylate sodium
- Ethylmercurithiosalicylate sodium salt
- ethylmercurithiosalicylic acid sodium salt
- Mercurate(1-), ethyl[2-(mercapto-κS)benzoato(2-)-κO]-, sodium
- Mercurate(1-), ethyl[2-(mercapto-κS)benzoato(2-)-κO]-, sodium (1:1)
- Mercurate(1-), ethyl[2-mercaptobenzoato(2-)-O,S]-, sodium
- mercurothiolate
- Mercury, ethyl(hydrogen o-mercaptobenzoato)-, sodium salt
- Merfamin
- Merseptyl
- Merthiolate
- Merthiolate sodium
- Mertorgan
- Merzonin
- MeSH ID: D013849
- Nosemack
- o-(ethylmercurithio)benzoic acid sodium salt
- SET
- Sodium 2-(ethylmercurithio)benzoate
- sodium [(2-carboxylatophenyl)sulfanyl](ethyl)mercurate(1-)
- sodium ethyl[2-(sulfanyl-kappaS)benzoato(2-)]mercurate(1-)
- sodium ethylmercurithiosalicylate
- sodium merthiolate
- Sodium o-(ethylmercurithio)benzoate
- Thimersalate
- Thiomersal
- Thiomersalat
- thiomersalate
- thiomersalum
- tiomersal
- Vitaseptol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | FGTDJPRCSDFACX-UHFFFAOYSA-M, RTKIYNMVFMVABJ-UHFFFAOYSA-L |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H9O2S.Hg.Na/c1-2-12-8-6-4-3-5-7(8)9(10)11;;/h3-6H,1-2H2,(H,10,11);;/q;;+1/p-1 |
| IUPAC name chemrof:IUPAC_name | [(o-carboxyphenyl)thio]ethylmercury sodium salt |
| Molecular formula chemrof:molecular_formula | C9H8HgNaO2S, C9H9HgNaO2S, C9H9HgO2S.Na |
| SMILES string chemrof:smiles_string | O=C([O-])c1ccccc1SC[CH2][Hg].[Na+] |
Known URLs
37Where 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=54-64-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9546 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.192 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3025540 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB11590 | enrich_references.pubchem_identifier_url |
| drugcentral.org | https://drugcentral.org/drugcard/4733 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:1677155 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2225PI3MOV | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/D00864 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/D00864 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=143640 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47751 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:3062 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/16684434 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2025 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18837732 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21616561 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21785120 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22015977 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22366633 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22658806 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22811707 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23145070 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23223227 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23282150 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23401210 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23554557 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23843785 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23949514 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23965928 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23992327 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25042713 | enrich_references.chebi_xrefs |
| reaxys | reaxys:8169555 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/10472 | enrich_references.pubchem_identifier_url |
| vsdb | vsdb:3062 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q411046 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Thiomersal | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 84f2da75-1c08-46fb-9e36-a24c32af9f8c | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 144f154c-5ea9-4b9a-b6a4-7d720be0dade | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| fda21d43-a83e-402b-bf7b-2951c2b230ef | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 52a6588b-7910-4aca-9c38-31b2a7a1a58e | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 3b8a832e-9499-487e-9eb4-1fb0520127ac | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 2abec419-eda3-4b77-a89e-48ff1c35cbac | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| c3634779-5490-4cc6-a069-dbffee563ebd | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| f12d5de6-d615-4e6c-83dc-8acfcdb68bd2 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| c467edf01f8b838271f63b7c7b1944d5e935c94b | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 4f9a4341-beb2-4625-ba89-5daf25dfc8e7 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 9b22b447-87bb-4c14-ab7c-48cc42f605b4 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 0ee4a61b-5699-488d-a16a-90a8f350bc5a | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 326dd1d2-3f6a-4dfa-9b5a-5722cbf1d8fc | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 6eeecc26-b7ff-430b-927c-4f7d3f456a08 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (60 changes)
Full record
Flow object JSON
{
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{
"@value": "Thimerosal",
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{
"@value": "ethyl(2-mercaptobenzoato-S)mercury sodium salt",
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{
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{
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{
"@value": "Mercurate(1-), ethyl[2-mercaptobenzoato(2-)-O,S]-, sodium",
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},
{
"@value": "mercurothiolate",
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{
"@value": "Mercury, ethyl(hydrogen o-mercaptobenzoato)-, sodium salt",
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},
{
"@value": "Merfamin",
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},
{
"@value": "Merseptyl",
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},
{
"@value": "Merthiolate",
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{
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{
"@value": "Mertorgan",
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{
"@value": "Merzonin",
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},
{
"@value": "MeSH ID: D013849",
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{
"@value": "Nosemack",
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},
{
"@value": "o-(ethylmercurithio)benzoic acid sodium salt",
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{
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}
},
{
"@value": "Sodium 2-(ethylmercurithio)benzoate",
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}
},
{
"@value": "sodium [(2-carboxylatophenyl)sulfanyl](ethyl)mercurate(1-)",
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},
{
"@value": "sodium ethyl[2-(sulfanyl-kappaS)benzoato(2-)]mercurate(1-)",
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},
{
"@value": "sodium ethylmercurithiosalicylate",
"@language": "en",
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},
{
"@value": "sodium merthiolate",
"@language": "en",
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}
},
{
"@value": "Sodium o-(ethylmercurithio)benzoate",
"@language": "en",
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}
},
{
"@value": "Thimersalate",
"@language": "en",
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},
{
"@value": "Thiomersal",
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},
{
"@value": "Thiomersalat",
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},
{
"@value": "thiomersalate",
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"200-210-4"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=200-210-4"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "An alkylmercury compound (approximately 49% mercury by weight) used as an antiseptic and antifungal agent.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_9546"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@type": [
"https://w3id.org/chemrof/ChemicalSalt"
]
}
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