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2-({[3-(methylsulfanyl)phenyl]carbamoyl}oxy)ethyl Prop-2-enoate

fo-c982d5348c3d95d0

Identity

Type
Neutral molecule
CAS
1207339-61-4
EC
700-694-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-({[3-(methylsulfanyl)phenyl]carbamoyl}oxy)ethyl Prop-2-enoate

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FYRZOXZLXPDHOF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H15NO4S/c1-3-12(15)17-7-8-18-13(16)14-10-5-4-6-11(9-10)19-2/h3-6,9H,1,7-8H2,2H3,(H,14,16)
IUPAC name chemrof:IUPAC_name 2-({[3-(methylsulfanyl)phenyl]carbamoyl}oxy)ethyl Prop-2-enoate
Molecular formula chemrof:molecular_formula C13H15NO4S
Molecular mass chemrof:molecular_mass 281.333
Monoisotopic mass chemrof:monoisotopic_mass 281.072179
SMILES string chemrof:smiles_string C=CC(=O)OCCOC(=O)Nc1cccc(SC)c1

Known URLs

5

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=1207339-61-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.218.671 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID401035733 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/59273262 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126682528 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ffe9fdda-2a6f-47bb-ba39-52cc66abc606 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8c83af55-fe1d-486e-bda6-594080507a0b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
35d34a13-881e-4fbc-86d7-12b744a9f0c6 Environmental → Air → Indoor EF 3.1 kg 2
6c4941fe-aa28-4367-8ac2-894c44020a38 Environmental → Air → Long-term EF 3.1 kg 0
3c8ac5a8-4fb2-47ad-9f5e-2e1c7a06a839 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a9692b6b-9731-4783-b1e8-8bbf8198d812 Environmental → Air → Unknown EF 3.1 kg 2
83d7c7ff-efaa-4ae1-bd0e-e81fd121eaef Environmental → Ground → Agricultural EF 3.1 kg 2
19d6c32a-95c5-4fff-b6a1-f2c1ba19a8dc Environmental → Ground → Non-agricultural EF 3.1 kg 2
4e1c9d9a-d2bc-44f3-bf8a-7e51052f1e4c Environmental → Ground → Unknown EF 3.1 kg 2
c87bf9ef-fdad-43b4-9f95-62bf2ebafc8a Environmental → Water → Long-term EF 3.1 kg 0
3e5e2cde-90c5-4599-9f46-a5e512d93576 Environmental → Water → Ocean EF 3.1 kg 2
e256dae4-9cbb-490b-8529-657404e885ce Environmental → Water → Surface water EF 3.1 kg 2
109dd7d3-2933-40ef-9def-4143fb4a49a6 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-c982d5348c3d95d0",
  "prefLabel": [
    {
      "@value": "2-({[3-(methylsulfanyl)phenyl]carbamoyl}oxy)ethyl Prop-2-enoate",
      "@language": "en",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-([[3-(Methylsulfanyl)phenyl]carbamoyl]oxy)ethyl 2-propenoate",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "2-([[3-(Methylsulphanyl)phenyl]carbamoyl]oxy)ethyl prop-2-enoate",
      "@language": "en",
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      }
    },
    {
      "@value": "2-[[[[3-(Methylthio)phenyl]amino]carbonyl]oxy]ethyl 2-propenoate",
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    },
    {
      "@value": "2-Propenoic acid, 2-[[[[3-(methylthio)phenyl]amino]carbonyl]oxy]ethyl ester",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "created_from": {
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  ]
}

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