Consensus flow list

Identity

Type
Neutral molecule
CAS
947-02-4
EC
213-423-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Phosfolan

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ILBONRFSLATCRE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H14NO3PS2/c1-3-10-12(9,11-4-2)8-7-13-5-6-14-7/h3-6H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-[Diethoxyphosphinylimino]-1,3-dithiolane
Molecular formula chemrof:molecular_formula C7H14NO3PS2
Molecular mass chemrof:molecular_mass 255.301
Monoisotopic mass chemrof:monoisotopic_mass 255.01527, 255.015272
SMILES string chemrof:smiles_string CCOP(=O)(N=C1SCCS1)OCC

Known URLs

12

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=947-02-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82145 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.203 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1042285 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CHJ98J84AY enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.472B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19011 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19011 enrich_references.pubchem_identifier_url
ppdb ppdb:2841 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13689 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q7187417 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phosfolan enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
b24f82f3-2660-486d-bab1-f2196a743c01 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d8445e36-34f9-45fa-a3e4-673f4ce25339 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2849365c-a1ed-407a-94d8-f57ffc711a14 Environmental → Air → Indoor EF 3.1 kg 2
3bf1d7f7-cef2-48e3-ad1e-efa780b1b952 Environmental → Air → Long-term EF 3.1 kg 0
308ce256-5cff-4ad8-b6c8-7c37a5af13ab Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
5df21440-8e66-488e-9cdf-968f9203675b Environmental → Air → Unknown EF 3.1 kg 2
16d80db4-3479-4a8f-b457-5cc90b6a7fb8 Environmental → Ground → Agricultural EF 3.1 kg 2
a294bb54-b260-4de8-ba70-47ca4915d6f4 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ba258dba61fdf7ef7d26349902d5407b4f46911f Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
47739c3d-a4bb-4c20-9f11-32fd7b49e6d8 Environmental → Ground → Unknown EF 3.1 kg 2
a6b24a21-d899-47c4-b5c7-4ddc3a3a2b72 Environmental → Water → Long-term EF 3.1 kg 0
824df705-2bbd-4f12-9e62-56d3a11cda1e Environmental → Water → Ocean EF 3.1 kg 2
893d6550-aeec-47b8-bc3f-ee0faeba008f Environmental → Water → Surface water EF 3.1 kg 2
53c2f5da-b8e6-4fce-8091-3c0ab247836f Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-de349192ee09d550",
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  "altLabel": [
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      "@value": "(Diethoxyphosphinyl)dithioimidocarbonic acid cyclic ethylene ester",
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    },
    {
      "@value": "Cyolane",
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    {
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      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    }
  },
  "classifications": {
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      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=947-02-4"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=947-02-4"
        }
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
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      ],
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        "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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