Brightway Flows 1.0
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2-amino-4-(5-nitro-2-furyl)thiazole

fo-0b3a831dd03de8fa

Identity

Type
Neutral molecule
CAS
38514-71-5
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2-amino-4-(5-nitro-2-furyl)thiazole

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZAVLMIGIVYJYMU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5N3O3S/c8-7-9-4(3-14-7)5-1-2-6(13-5)10(11)12/h1-3H,(H2,8,9)
IUPAC name chemrof:IUPAC_name 2-amino-4-(5-nitro-2-furyl)thiazole
Molecular formula chemrof:molecular_formula C7H5N3O3S
Molecular mass chemrof:molecular_mass 211.202
Monoisotopic mass chemrof:monoisotopic_mass 211.005162
SMILES string chemrof:smiles_string Nc1nc(-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=38514-71-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.520.836 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4039237 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL259567 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q45KV2AN7K enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.814H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/38052 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q63088097 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3e4d5070-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c4f-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a51c0730-05d8-47d0-b265-4c0896295e1f Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c4e-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9c50-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c4d-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c4b-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-8fad-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c4c-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c52-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-8fae-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c51-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
91895ab8b645ba8f1dcc18bd00f4a908fe49e8db Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
4d9a8790-3ddd-11dd-9c53-0050c2490048 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-0b3a831dd03de8fa",
  "prefLabel": [
    {
      "@value": "2-amino-4-(5-nitro-2-furyl)thiazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Thiazolamine, 4-(5-nitro-2-furanyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:38514-71-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=38514-71-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(5-Nitro-2-furanyl)-2-thiazolamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ANFT",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Thiazole, 2-amino-4-(5-nitro-2-furyl)-",
      "@language": "en",
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      "provenance": {
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      }
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  ],
  "properties": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      ],
      "attested_by": {
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        ]
      },
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  },
  "references": [
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    {
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    "seed_uuid": "08a91e70-3ddc-11dd-8fad-0050c2490048",
    "seed_source": "EF 3.1",
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  "parent_intervention_id": null,
  "@type": [
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  ]
}

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