Brightway Flows 1.0
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Tosyl Mf

fo-c2ff330b358f4acf

Identity

Type
Neutral molecule
CAS
36635-56-0
EC
700-490-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Tosyl Mf

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XEHIIYMZJQMMCF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H11NO3S/c1-8-2-4-9(5-3-8)14(12,13)7-10-6-11/h2-6H,7H2,1H3,(H,10,11)
IUPAC name chemrof:IUPAC_name N-(4-Methylbenzenesulfonylmethyl)-formamide
Molecular formula chemrof:molecular_formula C9H11NO3S
Molecular mass chemrof:molecular_mass 213.258
Monoisotopic mass chemrof:monoisotopic_mass 213.045964
SMILES string chemrof:smiles_string Cc1ccc(S(=O)(=O)CNC=O)cc1

Known URLs

7

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=36635-56-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.149.277 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50338183 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/TQ4PXR3MK9 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.716.433A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/547321 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72509325 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ff261723-ad56-4ca7-b684-4b3defae6db1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b0273a67-bce0-4930-b309-886828a1142d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b3dc7001-54f5-45cd-84ba-afa9bc91de02 Environmental → Air → Indoor EF 3.1 kg 2
8b97b540-d0d4-4963-997a-b4121a41c677 Environmental → Air → Long-term EF 3.1 kg 0
eadfc71b-3150-48c6-b3dc-19d99e5f1eb9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
686fc8e2-baf0-462f-b525-c2ec34b96aab Environmental → Air → Unknown EF 3.1 kg 2
0bb3ae30-35a8-490d-b5b1-84d1001dbb7f Environmental → Ground → Agricultural EF 3.1 kg 2
50b0b41e-4334-4db2-a762-6643d9fc7368 Environmental → Ground → Non-agricultural EF 3.1 kg 2
edd629ce-f0a5-4918-ade4-4b6d72531195 Environmental → Ground → Unknown EF 3.1 kg 2
ba3b9044-1376-4b34-907a-ae8291640088 Environmental → Water → Long-term EF 3.1 kg 0
a077166b-353a-4ee7-a92d-05d0b9811f55 Environmental → Water → Ocean EF 3.1 kg 2
aef9a539-52fa-4cdd-95ab-d9f9d6a74f97 Environmental → Water → Surface water EF 3.1 kg 2
2162dec8-1e2e-4235-99b6-aaebaab672ca 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-c2ff330b358f4acf",
  "prefLabel": [
    {
      "@value": "Tosyl Mf",
      "@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": "Formamide, N-[[(4-methylphenyl)sulfonyl]methyl]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:36635-56-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=36635-56-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(4-Methylbenzenesulfonylmethyl)-formamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:36635-56-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=36635-56-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(p-Toluenesulfonylmethyl)formamide",
      "@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=36635-56-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(Tosylmethyl)formamide",
      "@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=36635-56-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-[[(4-Methylphenyl)sulfonyl]methyl]formamide",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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        "C9H11NO3S"
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      },
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        },
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      "rdfs:label": "InChIKey",
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    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
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      ],
      "provenance": [
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          ]
        },
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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        {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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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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      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.716.433A",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[36635-56-0]"
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    },
    {
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        "prov:hadPrimarySource": [
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    },
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        "prov:wasDerivedFrom": "pubchem.identifiers[36635-56-0]"
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  ],
  "created_from": {
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    "seed_uuid": "0bb3ae30-35a8-490d-b5b1-84d1001dbb7f",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "types": [
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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  "classifications": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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