Consensus flow list

Identity

Type
Chemical salt
CAS
13927-77-0
EC
237-696-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Nickel Bis(dibutyldithiocarbamate)

Alternative labels

25

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HPOWMHUJHHIQGP-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2C9H19NS2.Ni/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2
IUPAC name chemrof:IUPAC_name Nickel Bis(dibutyldithiocarbamate)
Molecular formula chemrof:molecular_formula C18H36N2NiS4
Molecular mass chemrof:molecular_mass 467.461
Monoisotopic mass chemrof:monoisotopic_mass 466.111476
SMILES string chemrof:smiles_string CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2]

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=13927-77-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.034.255 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2020927 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/99D240X626 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.906J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4523766 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6101499 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q15991988 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
811e6391-3ee4-4331-832f-2f95b8544ae9 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
6d9fae8c-e87b-468b-9902-4ddd60e749c4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
0708a6dd-397a-428f-8def-fb4b0e69bf40 Environmental → Air → Indoor EF 3.1 kg 0
4a3f3504-1991-4205-b975-235125725ad9 Environmental → Air → Long-term EF 3.1 kg 0
972f0eee-78b3-4992-b027-933b4aa16503 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
05c0cdce-ab9e-4431-ab9b-f2a868149a4a Environmental → Air → Unknown EF 3.1 kg 0
4248c692-d4fc-4a32-abc2-c55ad4569759 Environmental → Ground → Agricultural EF 3.1 kg 0
5e085f6b-20b4-4ae6-bb1a-6d80ec598c19 Environmental → Ground → Non-agricultural EF 3.1 kg 0
76f19854-6fc1-4532-bc00-ee338ae21106 Environmental → Ground → Unknown EF 3.1 kg 0
1507f4c3-7553-4156-98e7-0ba89e94466e Environmental → Water → Long-term EF 3.1 kg 0
a4455d0d-720f-4c2a-a796-27a0c26919e7 Environmental → Water → Ocean EF 3.1 kg 0
aab53889-1cc8-43e4-be2f-d40e76422eb0 Environmental → Water → Surface water EF 3.1 kg 0
3a45d792-f9c4-4fe8-9ec5-0ecd9af3d3ca Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-119a4431a52afefc",
  "prefLabel": [
    {
      "@value": "Nickel Bis(dibutyldithiocarbamate)",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "(Dibutyldithiocarbamato)nickel(II)",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(SP-4-1)-Bis(N,N-dibutylcarbamodithioato-κS,κS′)nickel",
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      "@value": "Antage NBC",
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      "@value": "Antigene NBC",
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    {
      "@value": "Bis(dibutyldithiocarbamato)nickel",
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      "@value": "Bis(dibutyldithiocarbamato)nickel(II)",
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      "@value": "Bis(N,N-dibutyldithiocarbamato)nickel",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "BNI",
      "@language": "en",
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        ],
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    },
    {
      "@value": "Carbamodithioic acid, dibutyl-, nickel complex",
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        ],
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      }
    },
    {
      "@value": "Carbamodithioic acid, dibutyl-, nickel(2+) salt",
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        ],
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      }
    },
    {
      "@value": "NBC (stabilizer)",
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    },
    {
      "@value": "NDBC",
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        ],
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      }
    },
    {
      "@value": "Nickel dibutyldithiocarbamate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nickel N,N-dibutyldithiocarbamate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nickel(II) dibutyldithiocarbamate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nickel, bis(dibutylcarbamodithioato-S,S′)-, (SP-4-1)-",
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        ],
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      }
    },
    {
      "@value": "Nickel, bis(dibutylcarbamodithioato-κS,κS′)-, (SP-4-1)-",
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      }
    },
    {
      "@value": "Nickel, bis(dibutyldithiocarbamato)-",
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      "@value": "Nickel, bis(N,N-dibutylcarbamodithioato-κS,κS′)-, (SP-4-1)-",
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    },
    {
      "@value": "Nocrac NBC",
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    },
    {
      "@value": "Perkacit NDBC",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rhenogran NDBC 70ECO",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rylex NBC",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Sandant NBC",
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  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C18H36N2NiS4"
      ],
      "attested_by": {
        "C18H36N2NiS4": [
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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            "CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2]"
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      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "HPOWMHUJHHIQGP-UHFFFAOYSA-L"
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      "rdfs:label": "InChIKey",
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          "prov:hadPrimarySource": [
            "CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2]"
      ],
      "provenance": [
        {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/2C9H19NS2.Ni/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2"
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      "attested_by": {
        "InChI=1S/2C9H19NS2.Ni/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
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      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
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        },
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      ],
      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
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