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Diammonium Propane-1,2-diylbis(dithiocarbamate)

fo-b6960cf8b71ce3d8

Identity

Type
Chemical salt
CAS
84332-87-6
EC
282-716-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Diammonium Propane-1,2-diylbis(dithiocarbamate)

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XJQIWXCAMHSQTA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H10N2S4.2H3N/c1-3(7-5(10)11)2-6-4(8)9;;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);2*1H3
IUPAC name chemrof:IUPAC_name Diammonium Propane-1,2-diylbis(dithiocarbamate)
Molecular formula chemrof:molecular_formula C5H16N4S4
Molecular mass chemrof:molecular_mass 260.479
Monoisotopic mass chemrof:monoisotopic_mass 260.025781
SMILES string chemrof:smiles_string CC(CNC(=S)[S-])NC(=S)[S-].[NH4+].[NH4+]

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=84332-87-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.075.172 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID301004634 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/14129967 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/44145334 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82999729 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
33d1d772-c79a-49b8-a95a-9a59384149ce Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f07599f5-f89f-4e04-ae55-e1fd9f0febe5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
01f5e9d6-7fa4-43fd-8063-3bcf00f19e11 Environmental → Air → Indoor EF 3.1 kg 2
76f231bf-0fb1-4869-ac05-6b572b8ac405 Environmental → Air → Long-term EF 3.1 kg 0
a7c9486e-627f-4d52-b71a-28841a158e9c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6b655b0d-b691-4a29-902d-4691e3e23f6f Environmental → Air → Unknown EF 3.1 kg 2
f1eaa15b-3151-4407-ba00-c5a3ad94b0ff Environmental → Ground → Agricultural EF 3.1 kg 2
ae6b03a1-08cb-4ea5-9cea-e421dc4cc9b8 Environmental → Ground → Non-agricultural EF 3.1 kg 2
b1b5414d-6f0f-42eb-8aee-128c93bd7135 Environmental → Ground → Unknown EF 3.1 kg 2
cc7f06ba-7fa2-4bb2-b916-cc85f2157b32 Environmental → Water → Long-term EF 3.1 kg 0
de3b1417-5028-43e1-89a3-86dc8ad2226a Environmental → Water → Ocean EF 3.1 kg 2
c9c39c43-b823-4d9c-b0fd-b979d58356ae Environmental → Water → Surface water EF 3.1 kg 2
74fb16b5-68d0-40cc-b736-043c0c505c94 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-b6960cf8b71ce3d8",
  "prefLabel": [
    {
      "@value": "Diammonium Propane-1,2-diylbis(dithiocarbamate)",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Carbamodithioic acid, (1-methyl-1,2-ethanediyl)bis-, diammonium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
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  ],
  "properties": {
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        "C5H16N4S4"
      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
        "InChI=1S/C5H10N2S4.2H3N/c1-3(7-5(10)11)2-6-4(8)9;;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);2*1H3": [
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        ]
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
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      "@value": [
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      ],
      "provenance": {
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        ]
      },
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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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"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
        {
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        },
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "260.025781": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.075.172",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84332-87-6]"
      }
    },
    {
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      "provenance": {
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    },
    {
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    },
    {
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      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[84332-87-6]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "01f5e9d6-7fa4-43fd-8063-3bcf00f19e11",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
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      "@value": [
        "84332-87-6"
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=84332-87-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        }
      ],
      "provenance": {
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      "provenance": {
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        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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