Consensus flow list

Identity

Type
Neutral molecule
CAS
141-90-2
EC
205-508-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Thiouracil

Alternative labels

23

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZEMGGZBWXRYJHK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
IUPAC name chemrof:IUPAC_name Thiouracil
Molecular formula chemrof:molecular_formula C4H4N2OS
Molecular mass chemrof:molecular_mass 128.156
Monoisotopic mass chemrof:monoisotopic_mass 128.00443, 128.004434
SMILES string chemrof:smiles_string O=c1cc[nH]c(=S)[nH]1

Known URLs

30

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=141-90-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:348530 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.008 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021347 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2640 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2640 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=19473 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758660 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL345768 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/59X161SCYL enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245323 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.741A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19304 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19304 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=66965 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29856 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1269845 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=022721 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11094150 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23739752 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23740976 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3654008 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/4316226 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7120285 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8068712 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8978847 enrich_references.chebi_xrefs
reaxys reaxys:112227 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q20892027 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2-Thiouracil enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Thiouracil enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
041fd215-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-a335-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
39bf993c-fc32-4a67-ac71-c088d64233cf Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-8fe4-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a336-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-8fe3-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-8fe1-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-a33a-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-8fe2-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a338-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a33b-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-a337-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
fe0acd60-3ddc-11dd-a339-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-e91be976334868d8",
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    {
      "@value": "Thiouracil",
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      }
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  ],
  "altLabel": [
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    },
    {
      "@value": "2-Mercapto-3H-pyrimidin-4-one",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Mercapto-4-hydroxypyrimidine",
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      }
    },
    {
      "@value": "2-mercapto-4-pyrimidinol",
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    },
    {
      "@value": "2-Mercapto-4-pyrimidinone",
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    },
    {
      "@value": "2-Sulfanyl-3,4-dihydropyrimidin-4-one",
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      "provenance": {
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      }
    },
    {
      "@value": "2-Sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "2-Sulfanylidene-1H-pyrimidin-4-one",
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    },
    {
      "@value": "2-Sulfanylpyrimidin-4-ol",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "2-Thio-2,4-(1H,3H)-pyrimidinedione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Thiouracil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Thioxo-2,3-dihydro-1H-pyrimidin-4-one",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-thioxo-2,3-dihydropyrimidin-4(1H)-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4(1H)-Pyrimidinone, 2,3-dihydro-2-thioxo-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Hydroxy-2-mercaptopyrimidine",
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      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Hydroxy-2-pyrimidinethiol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "6-Hydroxy-2-mercaptopyrimidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=141-90-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Antagothyroil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Deracil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=141-90-2"
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    },
    {
      "@value": "MeSH ID: D013889",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=141-90-2"
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      }
    },
    {
      "@value": "Nobilen",
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      "provenance": {
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    },
    {
      "@value": "Uracil, 2-thio-",
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      "provenance": {
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  "properties": {
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