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Acetone [4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone

fo-02177f2edc95af35

Identity

Type
Neutral molecule
CAS
18523-69-8
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for Acetone [4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CUWVNOSSZYUJAE-UHFFFAOYSA-N, UCTPNCITVKAWEJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H10N4O3S/c1-6(2)12-13-10-11-7(5-18-10)8-3-4-9(17-8)14(15)16/h3-5H,1-2H3,(H,11,13)
IUPAC name chemrof:IUPAC_name Acetone [4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone
Molecular formula chemrof:molecular_formula C10H10N4O3S
SMILES string chemrof:smiles_string CC(C)=NNc1nc(-c2ccc([N+](=O)[O-])o2)cs1

Known URLs

8

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=18523-69-8 enrich_references.consensus_cas_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2020008 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL259553 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9NV6Z7N42W enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J33.804D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/29118 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4415524 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q63088090 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3e4c8d4f-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-992f-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b4cc0f04-4c90-4140-921a-01a2b9583e23 Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-992e-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9930-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08a91e70-3ddc-11dd-992d-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-992b-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-ad7a-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-992c-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9932-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-ad7b-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-9931-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
a4a3846377f9ac5124cce45f05d9f9f0bffc2b02 Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
fe0acd60-3ddc-11dd-ad79-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-02177f2edc95af35",
  "prefLabel": [
    {
      "@value": "Acetone [4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone",
      "@language": "en",
      "@lang": "en",
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  "altLabel": [],
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      ],
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      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        ]
      },
      "attested_by": {
        "Acetone [4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone": [
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      }
    }
  },
  "references": [
    {
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[18523-69-8]"
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    },
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    },
    {
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    },
    {
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  ],
  "created_from": {
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    "seed_uuid": "08a91e70-3ddc-11dd-992b-0050c2490048",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "classifications": {
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=18523-69-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      ],
      "provenance": {
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    }
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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