Brightway Flows 1.0
GitHub

Pebulate

fo-b120290a9ff4a480

Identity

Type
Neutral molecule
CAS
1114-71-2
EC
214-215-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Pebulate

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SGEJQUSYQTVSIU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3
IUPAC name chemrof:IUPAC_name S-Propyl butylethylthiocarbamate
Molecular formula chemrof:molecular_formula C10H21NOS
Molecular mass chemrof:molecular_mass 203.351
Monoisotopic mass chemrof:monoisotopic_mass 203.134385, 203.13439
SMILES string chemrof:smiles_string CCCCN(CC)C(=O)SCCC

Known URLs

14

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=1114-71-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81939 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.924 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8021199 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2251585 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/T1ECE7S074 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256192 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.508H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18755 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18755 enrich_references.pubchem_identifier_url
ppdb ppdb:508 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/14215 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3082 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q2425263 enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
172b2808-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-9620-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
422a0836-b6e2-4f3e-991e-418031621ee7 Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-961f-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9621-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-961e-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-9ed3-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9625-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
88a96a66d7b61e11da80885a2578c92db5b6b326 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-9ed4-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9623-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9626-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-9622-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
b2c3709dc6d9edb0de5cd7a0d1256bf1febd5cc8 Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
4d9a8790-3ddd-11dd-9624-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-b120290a9ff4a480",
  "prefLabel": [
    {
      "@value": "Pebulate",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "Butylethylthiocarbamic acid S-propyl ester",
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    },
    {
      "@value": "Carbamic acid, butylethylthio-, S-propyl ester",
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    },
    {
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    {
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      "@value": "Stauffer R 2061",
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      "@value": "Tillam",
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}

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