Consensus flow list

Identity

Type
ChemicalSalt
CAS
126-97-6
EC
204-815-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-hydroxyethanaminium Sulfanylacetate

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XTJCJAPNPGGFED-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2H7NO.C2H4O2S/c3-1-2-4;3-2(4)1-5/h4H,1-3H2;5H,1H2,(H,3,4)
IUPAC name chemrof:IUPAC_name 2-hydroxyethanaminium Sulfanylacetate
Molecular formula chemrof:molecular_formula C4H11NO3S
Molecular mass chemrof:molecular_mass 153.203
Monoisotopic mass chemrof:monoisotopic_mass 153.045964
SMILES string chemrof:smiles_string O=C([O-])CS.[NH3+]CCO

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=126-97-6 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=85169-27-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.379 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7059569 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/263SH5220T enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/160430 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/57508504 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27254042 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6ed36dcf-92f3-4fe9-ac43-ae9030849dd6 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0086ceb7-e369-48f2-b812-d719a46b1a07 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3e165597-da76-4b0a-aef2-67d29c6ee195 Environmental → Air → Indoor EF 3.1 kg 4
4a875014-a963-422c-be88-4d600a758986 Environmental → Air → Long-term EF 3.1 kg 0
ac5f638a-632d-4f85-9141-6b1cb95a8e61 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
2eaa0d73-35dc-4c2a-9aaa-31e82bb1e1c6 Environmental → Air → Unknown EF 3.1 kg 4
ecdb7160-656b-4acd-ab70-a37ee003a4c4 Environmental → Ground → Agricultural EF 3.1 kg 4
be1a83d5-e042-45ee-a50a-8d361f5c3bfa Environmental → Ground → Non-agricultural EF 3.1 kg 4
efd200cd-9e3f-41fc-9f37-22a520d5ede3 Environmental → Ground → Unknown EF 3.1 kg 4
305bf53d-7201-412a-831d-dcb8c30c09f8 Environmental → Water → Long-term EF 3.1 kg 0
1412cdf7-40c0-4594-b480-16a37d6ba5e2 Environmental → Water → Ocean EF 3.1 kg 4
1b759106-ae74-43f1-96f5-7aee219f3640 Environmental → Water → Surface water EF 3.1 kg 4
27bcf407-a7b2-472d-86ba-86118930b855 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-dfa9585234d8cd98",
  "prefLabel": [
    {
      "@value": "2-hydroxyethanaminium Sulfanylacetate",
      "@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": "Acetic acid, 2-mercapto-, compd. with 2-aminoethanol (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=126-97-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetic acid, mercapto-, compd. with 2-aminoethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=126-97-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetic acid, mercapto-, compd. with 2-aminoethanol (1:1)",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, 2-amino-, mercaptoacetate (salt)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Ethanolamine thioglycolate",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Monoethanolamine thioglycolate",
      "@language": "en",
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    },
    {
      "@value": "N-(2-Hydroxyethyl)ammonium thioglycolate",
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      }
    },
    {
      "@value": "Thioglycolic acid monoethanolamine salt",
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}

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