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Phosphorothioic Acid, O,o-bis(2-methylpropyl) Ester, Sodium 1:1)

fo-1eed36d0b223135c

Identity

Type
Chemical salt
CAS
53378-52-2
EC
610-992-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Phosphorothioic Acid, O,o-bis(2-methylpropyl) Ester, Sodium 1:1)

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VVTVDXPOGQYVFX-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C8H19O3PS.Na/c1-7(2)5-10-12(9,13)11-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,9,13);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Phosphorothioic acid, O,O-bis(2-methylpropyl) ester, sodium salt
Molecular formula chemrof:molecular_formula C8H18NaO3PS
Molecular mass chemrof:molecular_mass 248.26
Monoisotopic mass chemrof:monoisotopic_mass 248.061196
SMILES string chemrof:smiles_string CC(C)COP([O-])(=S)OCC(C)C.[Na+]

Known URLs

5

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=53378-52-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.108.445 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7068847 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23681713 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q81995613 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
46a47600-448d-4a0b-8dbe-0ed55e168a46 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
f141675e-cdfa-469b-9a6b-5997c4f8dab3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e5f2952a-84cb-431c-8a55-eac3fa756e85 Environmental → Air → Indoor EF 3.1 kg 4
83192726-8dd4-419e-8185-caaeb4001f6a Environmental → Air → Long-term EF 3.1 kg 0
d303a746-f95f-4479-bd80-5d8d03732bef Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
76ab7ce9-b3be-498b-a5da-ffd591350db8 Environmental → Air → Unknown EF 3.1 kg 4
ab985894-3b35-4008-ad85-3837c94dffd8 Environmental → Ground → Agricultural EF 3.1 kg 4
989bcd83-4156-4818-91cb-fa22c54e482e Environmental → Ground → Non-agricultural EF 3.1 kg 4
da245bbf-6296-4f21-95bb-35f4eddfebc2 Environmental → Ground → Unknown EF 3.1 kg 4
4a91496c-94ed-455f-87f3-65a1f7d6e4cd Environmental → Water → Long-term EF 3.1 kg 0
8a437439-103b-4d7d-bcdf-80ff5380809f Environmental → Water → Ocean EF 3.1 kg 4
38eca66f-a4a6-46ec-b48a-5f6b21ba9420 Environmental → Water → Surface water EF 3.1 kg 4
550f342e-5547-4218-a122-cae34765b22b Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "prefLabel": [
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      "@value": "Phosphorothioic Acid, O,o-bis(2-methylpropyl) Ester, Sodium 1:1)",
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  ],
  "altLabel": [
    {
      "@value": "Isobutyl sodium phosphorothioate",
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}

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