Brightway Flows 1.0
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Ethyl 3-[(diisopropoxyphosphorothioyl)sulfanyl]propanoate

fo-229499c344175e61

Identity

Type
Neutral molecule
CAS
71735-74-5
EC
275-965-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Ethyl 3-[(diisopropoxyphosphorothioyl)sulfanyl]propanoate

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PMWHATAFABINDH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H23O4PS2/c1-6-13-11(12)7-8-18-16(17,14-9(2)3)15-10(4)5/h9-10H,6-8H2,1-5H3
IUPAC name chemrof:IUPAC_name Ethyl 3-[(diisopropoxyphosphorothioyl)sulfanyl]propanoate
Molecular formula chemrof:molecular_formula C11H23O4PS2
Molecular mass chemrof:molecular_mass 314.409
Monoisotopic mass chemrof:monoisotopic_mass 314.077538
SMILES string chemrof:smiles_string CCOC(=O)CCSP(=S)(OC(C)C)OC(C)C

Known URLs

6

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=71735-74-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.069.038 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7072416 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.118G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/155666 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82000450 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2965cb60-dbe7-4f7b-8fde-fef528aa0a29 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1dadbf84-58ed-413a-a285-d11b7d19799d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
90ff1315-3ea3-461b-a9be-fed12d0cef91 Environmental → Air → Indoor EF 3.1 kg 4
e3c63e5b-6a91-48f2-bde0-256d8a2b87fb Environmental → Air → Long-term EF 3.1 kg 0
65578b81-081c-4eeb-bbae-ba25afefbc1f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fd298930-fe12-43d2-8260-d0bfcbc500ac Environmental → Air → Unknown EF 3.1 kg 4
08f56da6-66cd-450b-b559-ac770433c71f Environmental → Ground → Agricultural EF 3.1 kg 4
e90388d7-eda9-47db-b2e8-2bdd8b67de32 Environmental → Ground → Non-agricultural EF 3.1 kg 4
9220a42c-b53b-4d76-98f8-45045d4c83e7 Environmental → Ground → Unknown EF 3.1 kg 4
c57343aa-f5c8-4400-82c3-93e10b86acdc Environmental → Water → Long-term EF 3.1 kg 0
689f379a-5bc2-4234-acff-795cd2135c22 Environmental → Water → Ocean EF 3.1 kg 4
091dc9e4-3874-47ed-8dc9-df99b789007a Environmental → Water → Surface water EF 3.1 kg 4
e682bd76-0590-4a34-b1a1-758ebb523711 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-229499c344175e61",
  "prefLabel": [
    {
      "@value": "Ethyl 3-[(diisopropoxyphosphorothioyl)sulfanyl]propanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "Ethyl 3-[[bis(1-methylethoxy)phosphinothioyl]thio]propanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    {
      "@value": "Irgalube 62",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanoic acid, 3-[[bis(1-methylethoxy)phosphinothioyl]thio]-, ethyl ester",
      "@language": "en",
      "@lang": "en",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
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  "created_from": {
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    "seed_uuid": "08f56da6-66cd-450b-b559-ac770433c71f",
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}

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