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Methyl 3-sulfanylpropanoate

fo-ac41f0784ba91aa9

Identity

Type
Neutral molecule
CAS
2935-90-2
EC
220-912-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Methyl 3-sulfanylpropanoate

Alternative labels

15

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LDTLDBDUBGAEDT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3
IUPAC name chemrof:IUPAC_name Methyl 3-sulfanylpropanoate
Molecular formula chemrof:molecular_formula C4H8O2S
Molecular mass chemrof:molecular_mass 120.173
Monoisotopic mass chemrof:monoisotopic_mass 120.0245
SMILES string chemrof:smiles_string COC(=O)CCS

Known URLs

9

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=2935-90-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.019.012 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6027509 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=137814 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188420 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V920F0BCRZ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.910K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/18050 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27291681 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
763e8854-644b-4f6f-a1cd-6f3869814c7d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6e85aa7b-07b5-42ec-8a7d-1bc83126afb5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
112f7c9b-16f8-4afe-be6f-efef07183736 Environmental → Air → Indoor EF 3.1 kg 4
9a351ced-0cea-4520-a8fe-6b250334c103 Environmental → Air → Long-term EF 3.1 kg 0
897e9a56-c3e5-4793-95af-f4e37061e1c6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a776ca3d-361a-41ce-9b30-d02a844f14fd Environmental → Air → Unknown EF 3.1 kg 4
c6cfa87f-d868-49b6-8ef4-daf5b2e97abe Environmental → Ground → Agricultural EF 3.1 kg 4
b62e2da4-ae2f-4501-891c-83e8103dae34 Environmental → Ground → Non-agricultural EF 3.1 kg 4
103ec4f2-229a-4a0a-bfb0-85de94854a04 Environmental → Ground → Unknown EF 3.1 kg 4
0eba0277-f4c1-4919-888f-267bf9ba809a Environmental → Water → Long-term EF 3.1 kg 0
e22b0abc-ea43-4b13-867c-652f9ca7d9ac Environmental → Water → Ocean EF 3.1 kg 4
fa79e491-939f-428d-993b-a3a7437dbb5d Environmental → Water → Surface water EF 3.1 kg 4
e22246a2-aaea-41aa-9fc5-fbc9fb6ecb92 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 
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          "@id": "https://commonchemistry.cas.org/detail?cas_rn=2935-90-2"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "220-912-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=220-912-4"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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