Consensus flow list

Identity

Type
Neutral molecule
CAS
145783-14-8
EC
700-475-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4,6-dichloro-5-nitro-2-(propylthio)pyrimidine /n/n

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DDEDQHVHVPJFAC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H7Cl2N3O2S/c1-2-3-15-7-10-5(8)4(12(13)14)6(9)11-7/h2-3H2,1H3
IUPAC name chemrof:IUPAC_name 4,6-Dichloro-5-nitro-2-(propylthio)pyrimidine
Molecular formula chemrof:molecular_formula C7H7Cl2N3O2S
Molecular mass chemrof:molecular_mass 268.125
Monoisotopic mass chemrof:monoisotopic_mass 266.963603
SMILES string chemrof:smiles_string CCCSc1nc(Cl)c([N+](=O)[O-])c(Cl)n1

Known URLs

7

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=145783-14-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.149.352 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50624098 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SKG6STM2MT enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.688.107B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22268924 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72467129 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c12ec3e7-47f4-4b6f-a58a-c2df1d63dbc4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1d25bf5a-3912-4cfb-9d82-911c2de3c0ac Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
566004a7-62ae-4624-8329-8f79230995e6 Environmental → Air → Indoor EF 3.1 kg 4
e9a02ee7-58d6-49c9-95a8-9a2358eca4c3 Environmental → Air → Long-term EF 3.1 kg 0
a42e2914-83f0-4d71-ad64-50dd632a6987 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d2d91a4e-a19e-48b9-a489-7a6f0ff9cc03 Environmental → Air → Unknown EF 3.1 kg 4
a13fd251-8f00-4268-9813-9d3a6eed50e7 Environmental → Ground → Agricultural EF 3.1 kg 4
eaa8211c-8df8-4706-92d0-5f934cb65e99 Environmental → Ground → Non-agricultural EF 3.1 kg 4
b71237bf-6b8b-4ceb-8724-83e960168e7a Environmental → Ground → Unknown EF 3.1 kg 4
3ba923d9-fc0f-4c4a-a491-2633a98bf212 Environmental → Water → Long-term EF 3.1 kg 0
974b71e5-196d-498a-8e15-b1336569227e Environmental → Water → Ocean EF 3.1 kg 4
2060c470-19dc-40e8-9a5d-e048ee0b861d Environmental → Water → Surface water EF 3.1 kg 4
b51a44b3-ca90-4681-ade0-9cd30f495dd5 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f6265855dd26e696",
  "prefLabel": [
    {
      "@value": "4,6-dichloro-5-nitro-2-(propylthio)pyrimidine /n/n",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4,6-Dichloro-5-nitro-2-(propylthio)pyrimidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,6-Dichloro-5-nitro-2-propylsulfanylpyrimidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,6-Dichloro-5-nitro-2-propylthiopyrimidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pyrimidine, 4,6-dichloro-5-nitro-2-(propylthio)-",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
  "properties": {
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        "C7H7Cl2N3O2S"
      ],
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      ],
      "provenance": [
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        },
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      ],
      "attested_by": {
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      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
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  },
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  "@type": [
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}

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