Consensus flow list

Identity

Type
Neutral molecule
CAS
17773-41-0
EC
241-756-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2-hydroxy-4-(methylsulfanyl)butanenitrile

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VWWOJJANXYSACS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H9NOS/c1-8-3-2-5(7)4-6/h5,7H,2-3H2,1H3
IUPAC name chemrof:IUPAC_name 2-hydroxy-4-(methylsulfanyl)butanenitrile
Molecular formula chemrof:molecular_formula C5H9NOS
Molecular mass chemrof:molecular_mass 131.2
Monoisotopic mass chemrof:monoisotopic_mass 131.040485
SMILES string chemrof:smiles_string CSCCC(O)C#N

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=17773-41-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.037.945 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80884986 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J27.742H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87302 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82863618 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1132f7db-0425-4ec8-a1a2-93734f32b925 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4ac7650a-237d-452e-9e7a-b31004310e5e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4c5f167c-bb0e-4cd4-8cf2-5d5523c9b297 Environmental → Air → Indoor EF 3.1 kg 2
cdf49261-97fc-4e85-bd28-35ebbe8cbcfd Environmental → Air → Long-term EF 3.1 kg 0
9a879c01-a3de-48f4-b188-c1f4e2af56b3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
5697a8af-2098-4c66-9e1d-81a81c9f356e Environmental → Air → Unknown EF 3.1 kg 2
f5bb47a1-98d9-471a-aea2-fbc65f6c77fd Environmental → Ground → Agricultural EF 3.1 kg 2
fdce3261-c77c-476d-ab6b-2ec990c20da1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
8e47e18e-4a85-4fce-a950-66ccd4a24f7e Environmental → Ground → Unknown EF 3.1 kg 2
3c00feef-159d-4467-ad92-61530d23ff86 Environmental → Water → Long-term EF 3.1 kg 0
df4a9c90-00bb-4bf6-915b-01fd193650a6 Environmental → Water → Ocean EF 3.1 kg 2
40dd24e1-7c76-4c50-9c22-44e886f60aaa Environmental → Water → Surface water EF 3.1 kg 2
bd311852-b9a8-4fcb-a420-b0e354409e5c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-b7f1975cad1e49ff",
  "prefLabel": [
    {
      "@value": "2-hydroxy-4-(methylsulfanyl)butanenitrile",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Hydroxy-3-methylthiopropanecarbonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hydroxy-4-(methylthio)butanenitrile",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "2-Hydroxy-4-(methylthio)butyronitrile",
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      }
    },
    {
      "@value": "3-(Methylmercapto)propionaldehyde cyanohydrin",
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    },
    {
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    },
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    },
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    },
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}

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