Consensus flow list

Identity

Type
NeutralMolecule
CAS
5577-13-9
EC
226-952-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Ethyl [(4-methylphenyl)sulfonyl]carbamate

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DFWQXANLGSXMKF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H13NO4S/c1-3-15-10(12)11-16(13,14)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12)
IUPAC name chemrof:IUPAC_name Ethyl [(4-methylphenyl)sulfonyl]carbamate
Molecular formula chemrof:molecular_formula C10H13NO4S
Molecular mass chemrof:molecular_mass 243.284
Monoisotopic mass chemrof:monoisotopic_mass 243.056529
SMILES string chemrof:smiles_string CCOC(=O)NS(=O)(=O)c1ccc(C)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=5577-13-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.024.503 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80971143 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/P83946FTE5 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J103.095G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/79683 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72476098 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f33bdecb-d103-4c9e-8326-4e6558661a87 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
63ae60fb-7f05-4e23-a68a-f41203b69d66 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
002ed169-d04f-4172-9549-61b75c9e8a1d Environmental → Air → Indoor EF 3.1 kg 2
3246a337-9c5e-40d8-9118-27ad7ec0e06d Environmental → Air → Long-term EF 3.1 kg 0
69cf4f95-411e-440f-932a-01bc7fde261f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
5e0421ad-8a4d-4d26-95b8-6bc23920ae51 Environmental → Air → Unknown EF 3.1 kg 2
0a612fd5-a364-4b06-b965-067e67639b5d Environmental → Ground → Agricultural EF 3.1 kg 2
4eea7c4c-5b11-47e0-a9fa-0c9f4928eb16 Environmental → Ground → Non-agricultural EF 3.1 kg 2
cd8bda06-0021-4261-85fd-3ccec9199417 Environmental → Ground → Unknown EF 3.1 kg 2
58d6d9b1-d572-4089-b4d2-bbd421ab2ec2 Environmental → Water → Long-term EF 3.1 kg 0
7d4db807-071c-44e2-b02c-2ddc03e0174b Environmental → Water → Ocean EF 3.1 kg 2
c52da1c5-58f9-4ea0-a4c1-15cc89ee5a93 Environmental → Water → Surface water EF 3.1 kg 2
f14814b6-cce0-4715-9f3a-886ca2a37796 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-b70178a06eb09fb3",
  "prefLabel": [
    {
      "@value": "Ethyl [(4-methylphenyl)sulfonyl]carbamate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Carbamic acid, (p-tolylsulfonyl)-, ethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "CAS:5577-13-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=5577-13-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbamic acid, [(4-methylphenyl)sulfonyl]-, ethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbamic acid, N-[(4-methylphenyl)sulfonyl]-, ethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Ethyl (p-toluenesulfonyl)carbamate",
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      "provenance": {
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      }
    },
    {
      "@value": "Ethyl (p-tolylsulfonyl)carbamate",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Ethyl N-(4-methylbenzenesulfonyl)carbamate",
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    {
      "@value": "Ethyl N-[(4-methylphenyl)sulfonyl]carbamate",
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        ],
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      }
    },
    {
      "@value": "Ethyl N-tosylcarbamate",
      "@language": "en",
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      "@value": "Ethyl tosylcarbamate",
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    "https://w3id.org/chemrof/smiles_string": {
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}

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