Consensus flow list

Identity

Type
ChemicalSalt
CAS
25306-75-6
EC
246-805-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Sodium O-isobutyl Dithiocarbonate

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FLVLHHSRQUTOJM-UHFFFAOYSA-M, VEXIJLUQHUGSOH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H10OS2.Na/c1-4(2)3-6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium O-isobutyl Dithiocarbonate
Molecular formula chemrof:molecular_formula C5H10NaOS2, C5H9NaOS2
SMILES string chemrof:smiles_string CC(C)COC(=S)[S-].[Na+]

Known URLs

2

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=25306-75-6 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87277720 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
529fd80c-bc2b-476f-9a11-486f68820621 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
70a75dcc-8d10-46dc-bffb-1eddcdb11107 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1e70bb40-b58c-45ac-9f4b-5341085686da Environmental → Air → Indoor EF 3.1 kg 4
2b3c5c95-2c98-4ff2-9ed1-14f2d8e3dc91 Environmental → Air → Long-term EF 3.1 kg 0
73327ace-e194-4312-9fec-bce4038084b3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
473b16c1-3a64-4bd8-b263-c0d0fc713300 Environmental → Air → Unknown EF 3.1 kg 4
6f81d7f5-8dd8-4246-b739-0c20cbc8c487 Environmental → Ground → Agricultural EF 3.1 kg 4
251952bb-f8bc-43a3-9036-3f8bb557053a Environmental → Ground → Non-agricultural EF 3.1 kg 4
92f26ed4-52d7-4d78-a328-d7120c92aa99 Environmental → Ground → Unknown EF 3.1 kg 4
f073acf0-bd4a-430c-9fbd-eec026696418 Environmental → Water → Long-term EF 3.1 kg 0
44fd98ae-8b54-46cc-a914-1591ccbf7661 Environmental → Water → Ocean EF 3.1 kg 4
922b30aa-fdee-473e-9938-9c13dea9061b Environmental → Water → Surface water EF 3.1 kg 4
01ca302d-26bf-4d13-9685-7a941bfe9c4b Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-675eb90f434a584f",
  "prefLabel": [
    {
      "@value": "Sodium O-isobutyl Dithiocarbonate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
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      "@value": "Carbonic acid, dithio-, O-isobutyl ester, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "SIBX",
      "@language": "en",
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      }
    },
    {
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        ],
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      }
    },
    {
      "@value": "Sodium isobutyl xanthate",
      "@language": "en",
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  "properties": {
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        "C5H10NaOS2",
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        ],
        "C5H9NaOS2": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
        "CC(C)COC(=S)[S-].[Na+]"
      ],
      "provenance": [
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          ]
        },
        {
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          ]
        }
      ],
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C5H10OS2.Na/c1-4(2)3-6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1"
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    },
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      },
      "attested_by": {
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      }
    }
  },
  "references": [
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      "provenance": {
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  "created_from": {
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    "seed_source": "EF 3.1",
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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