Consensus flow list

Identity

Type
Neutral molecule
CAS
759-94-4
EC
212-073-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for S-ethyl Dipropylthiocarbamate

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GUVLYNGULCJVDO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3
IUPAC name chemrof:IUPAC_name S-ethyl Dipropylthiocarbamate
Molecular formula chemrof:molecular_formula C9H19NOS
Molecular mass chemrof:molecular_mass 189.324
Monoisotopic mass chemrof:monoisotopic_mass 189.118735, 189.11874
SMILES string chemrof:smiles_string CCCN(CCC)C(=O)SCC

Known URLs

19

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=759-94-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4738 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.976 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0469 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1024091 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=40486 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1371350 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/R7PI3287F4 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0251894 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.966C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11081 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11081 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67626 enrich_references.pubchem_identifier_url
ppdb ppdb:268 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12968 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2902 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2992 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q424784 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/EPTC_(herbicide) enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
172ab2f8-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-9746-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1f1d647c-5ad8-4d0f-9728-7f972f8f4796 Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-9745-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9747-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-972c-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-972a-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-975b-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
015eb4af3e8f3087fba0fddfca57fe3ccd28bbab Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-972b-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9759-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-975c-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4d9a8790-3ddd-11dd-9748-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
4d9a8790-3ddd-11dd-975a-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ade17b5b673b1609",
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  "altLabel": [
    {
      "@value": "Alirox",
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    },
    {
      "@value": "Carbamic acid, dipropylthio-, S-ethyl ester",
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    {
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