Consensus flow list

Identity

Type
Neutral molecule
CAS
27157-94-4
EC
248-273-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for O,o-bis(methylphenyl) S-hydrogen Phosphorodithioate

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BCUWNHXCRZXULS-UHFFFAOYSA-M, DFVPPGZSXADRCW-UHFFFAOYSA-N, YWNCJQFIISAORE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H15O2PS2/c1-11-3-7-13(8-4-11)15-17(18,19)16-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,18,19)/p-1
IUPAC name chemrof:IUPAC_name O,O-Ditolyl phosphorodithioate
Molecular formula chemrof:molecular_formula C14H14O2PS2-, C14H15O2PS2, C14H19O2PS2
SMILES string chemrof:smiles_string Cc1ccc(OP(=S)([S-])Oc2ccc(C)cc2)cc1

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=27157-94-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.043.870 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00883133 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QLM7KV5J4B enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J560.512A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/156614056 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/162177 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81981717 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9ac912bc-10c5-431b-accc-4f4a0cb9a100 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b2f31fc9-2b36-4d97-8112-e41e92c3b731 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c48c9a5f-0680-4c53-bc50-5a02f86d66d1 Environmental → Air → Indoor EF 3.1 kg 2
b7b226cc-4c8b-4746-8426-ed349eca6307 Environmental → Air → Long-term EF 3.1 kg 0
8749feed-64a0-4f02-b523-e929acc3ba1d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
67887d09-786f-4f05-92d0-f4625e9eb356 Environmental → Air → Unknown EF 3.1 kg 2
e20d9565-8bcf-4e33-b92c-d0d8a3452c31 Environmental → Ground → Agricultural EF 3.1 kg 2
a7234360-e0dc-4099-8add-dc4ea5e940f8 Environmental → Ground → Non-agricultural EF 3.1 kg 2
157a61a4-f4c3-4639-b022-f7820590bd8e Environmental → Ground → Unknown EF 3.1 kg 2
a7385934-e086-4067-a2be-741397640933 Environmental → Water → Long-term EF 3.1 kg 0
e236bcfc-072b-4ff1-aa4b-a08e3e2b1c31 Environmental → Water → Ocean EF 3.1 kg 2
8ea25165-0089-42b6-bcdb-b043181626c1 Environmental → Water → Surface water EF 3.1 kg 2
676013d7-4887-4a92-91df-c3c782715232 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-3a194fc51619c227",
  "prefLabel": [
    {
      "@value": "O,o-bis(methylphenyl) S-hydrogen Phosphorodithioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Cresyl aerofloat",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=27157-94-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Ditolyl phosphorodithioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=27157-94-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorodithioic acid, O,O-bis(methylphenyl) ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=27157-94-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorodithioic acid, O,O-ditolyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tolyl phosphorodithioate ((C7H7O)2(HS)PS)",
      "@language": "en",
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      "provenance": {
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  "properties": {
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        "C14H14O2PS2-",
        "C14H15O2PS2",
        "C14H19O2PS2"
      ],
      "attested_by": {
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        ],
        "C14H19O2PS2": [
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        ],
        "C14H14O2PS2-": [
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        ]
      },
      "rdfs:label": "Molecular formula",
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        },
        {
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            "Cc1ccc(OP(=S)([S-])Oc2ccc(C)cc2)cc1"
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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        "BCUWNHXCRZXULS-UHFFFAOYSA-M",
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        "BCUWNHXCRZXULS-UHFFFAOYSA-M": [
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
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        {
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          ]
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      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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        "Cc1ccc(OP(=S)([S-])Oc2ccc(C)cc2)cc1"
      ],
      "provenance": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
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      ],
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C14H15O2PS2/c1-11-3-7-13(8-4-11)15-17(18,19)16-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,18,19)/p-1"
      ],
      "provenance": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          ]
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      ],
      "attested_by": {
        "InChI=1S/C14H15O2PS2/c1-11-3-7-13(8-4-11)15-17(18,19)16-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,18,19)/p-1": [
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "O,O-Ditolyl phosphorodithioate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
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        "prov:hadPrimarySource": [
          "O,O-Ditolyl phosphorodithioate"
        ]
      },
      "attested_by": {
        "O,O-Ditolyl phosphorodithioate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "157a61a4-f4c3-4639-b022-f7820590bd8e",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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  },
  "classifications": {
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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}

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