Consensus flow list

Identity

Type
Neutral molecule
CAS
3244-90-4
EC
221-817-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for O,O,O',O'-tetrapropyl Pyrophosphorothioate

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IIDFEIDMIKSJSV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H28O5P2S2/c1-5-9-13-18(20,14-10-6-2)17-19(21,15-11-7-3)16-12-8-4/h5-12H2,1-4H3
IUPAC name chemrof:IUPAC_name O,O,O,O-Tetrapropyl dithiopyrophosphate
Molecular formula chemrof:molecular_formula C12H28O5P2S2
Molecular mass chemrof:molecular_mass 378.433
Monoisotopic mass chemrof:monoisotopic_mass 378.085339
SMILES string chemrof:smiles_string CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC

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=3244-90-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.019.834 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6032510 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2550 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PC55IL137P enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.697J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/18609 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27286471 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
1e92f73c-82eb-45a2-99fa-52d12ce20647 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9d1efe92-7db8-44c9-8e38-1b97495a7e8c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8f2b76e8-68e4-46ae-a68c-e3d4b4e0d209 Environmental → Air → Indoor EF 3.1 kg 2
0852fd48-7a7e-4e50-b67a-1fd0606da841 Environmental → Air → Long-term EF 3.1 kg 0
c6f7446d-684c-4bf9-9307-cbf17e41be65 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
32c7ff03-f18c-4818-9f81-95a56238be2e Environmental → Air → Unknown EF 3.1 kg 2
ca1026ec-6911-47d5-9a39-b0e2f54340a1 Environmental → Ground → Agricultural EF 3.1 kg 2
cbb5e7f9-52af-4d2c-b356-126d8df7dfe3 Environmental → Ground → Non-agricultural EF 3.1 kg 2
0a6fd4c1324077f8f68e87443cda16855406d03b Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
152f8f2e-f9a2-4e10-954c-47c3f0fcfd4f Environmental → Ground → Unknown EF 3.1 kg 2
442510c6-df6d-4758-9cf0-eff95ac513ad Environmental → Water → Long-term EF 3.1 kg 0
efa41eb6-1ce6-4bc0-9504-413c45ca7391 Environmental → Water → Ocean EF 3.1 kg 2
e43a9ffc-4150-4532-a8ee-f755bec1d3e5 Environmental → Water → Surface water EF 3.1 kg 2
5e01d111-161e-448f-b606-809fa0ab9594 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (60 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-b825b3dbc181863b",
  "prefLabel": [
    {
      "@value": "O,O,O',O'-tetrapropyl Pyrophosphorothioate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Aspon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O,O,O-Tetrapropyl dithiopyrophosphate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propyl thiopyrophosphate ([(PrO)2P(S)]2O)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetra-n-propyl dithionopyrophosphate",
      "@language": "en",
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    },
    {
      "@value": "Tetra-n-propyl dithiopyrophosphate",
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    },
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    {
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}

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