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Pyrithiobac-sodium

fo-b8d98b39450f49e0

Identity

Type
Chemical salt
CAS
123343-16-8
EC
602-931-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Pyrithiobac-sodium

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CNILNQMBAHKMFS-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C13H11ClN2O4S.Na/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18;/h3-6H,1-2H3,(H,17,18);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, sodium salt
Molecular formula chemrof:molecular_formula C13H10ClN2NaO4S, C13H10ClN2O4S.Na
Molecular mass chemrof:molecular_mass 348.743
Monoisotopic mass chemrof:monoisotopic_mass 347.99475
SMILES string chemrof:smiles_string COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)[O-])n1.[Na+]

Known URLs

12

Where 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=123343-16-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81973 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.107.809 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8032673 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186632 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5M13LUJ9WY enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J659.906K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18805 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18805 enrich_references.pubchem_identifier_url
ppdb ppdb:1029 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23682187 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27155670 enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
64b1ce62-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a66-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ed90c7f8-f3fb-4d17-a4fe-5cdd71c042c2 Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a65-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9a67-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a64-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a62-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a6b-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e75aef20fabab5fe91cb58f6180ffd1d621fbd91 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-9a63-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a69-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9a6c-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a68-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
0b2b4e9b76b3e3c13b7fa06f19c86b4d76571e69 Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
4d9a8790-3ddd-11dd-9a6a-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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          "CID:23682187;CAS:123343-16-8"
        ],
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      }
    },
    {
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        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
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    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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  },
  "classifications": {
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        "123343-16-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=123343-16-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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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

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