Consensus flow list

2,5-dihydrothiophene 1,1-dioxide

fo-d2ed1462a10c594e

Identity

Type
Neutral molecule
CAS
77-79-2
EC
201-059-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,5-dihydrothiophene 1,1-dioxide

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MBDNRNMVTZADMQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1-2H,3-4H2
IUPAC name chemrof:IUPAC_name 2,5-dihydrothiophene 1,1-dioxide
Molecular formula chemrof:molecular_formula C4H6O2S
Molecular mass chemrof:molecular_mass 118.157
Monoisotopic mass chemrof:monoisotopic_mass 118.00885
SMILES string chemrof:smiles_string O=S1(=O)CC=CC1

Known URLs

14

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=77-79-2 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:194619 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.964 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.221.575 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6021294 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=119477 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=48532 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=56373 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182104 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z6003L44MN enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6498 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018247 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q601018 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Sulfolene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4fb20c32-9699-494c-ab7c-2e200c99cfa4 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
8a49a36c-1e39-401f-b986-79fa307fba20 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
e8f29396-dcc6-499b-8f3a-d9c6534119a7 Environmental → Air → Indoor EF 3.1 kg 0
082e067e-98bb-4f15-b2a1-393c8ea8ca5f Environmental → Air → Long-term EF 3.1 kg 0
e4733dc8-6311-4585-b967-9de1db2706fb Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
10b169a0-35d1-43aa-a23e-6f31508ef567 Environmental → Air → Unknown EF 3.1 kg 0
29847b59-ffed-464e-a0ba-2809598de621 Environmental → Ground → Agricultural EF 3.1 kg 0
befdbe6e-dcf1-4976-9e41-5e0bbb0e11e7 Environmental → Ground → Non-agricultural EF 3.1 kg 0
193fc8be-86eb-43c7-9108-0faa5dbaaa42 Environmental → Ground → Unknown EF 3.1 kg 0
45022fe9-e94b-420e-903e-b2358766a3cd Environmental → Water → Long-term EF 3.1 kg 0
7337465d-b58b-4cae-b7f7-de297607bc5c Environmental → Water → Ocean EF 3.1 kg 0
c942b842-dbed-4d66-826f-277d5bcc4343 Environmental → Water → Surface water EF 3.1 kg 0
40633cfb-671b-44d5-b884-e817e322b4d6 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
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    "seed_uuid": "082e067e-98bb-4f15-b2a1-393c8ea8ca5f",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "77-79-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=77-79-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=77-79-2"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "201-059-7"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=201-059-7"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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