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1,3-diethylthiourea

fo-325f6b42a5f88cdb

Identity

Type
Neutral molecule
CAS
105-55-5
EC
203-308-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1,3-diethylthiourea

Alternative labels

20

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FLVIGYVXZHLUHP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
IUPAC name chemrof:IUPAC_name 1,3-diethylthiourea
Molecular formula chemrof:molecular_formula C5H12N2S
Molecular mass chemrof:molecular_mass 132.232
Monoisotopic mass chemrof:monoisotopic_mass 132.072119, 132.07212
SMILES string chemrof:smiles_string CCNC(=S)NCC

Known URLs

20

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=105-55-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82448 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.008 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8020466 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3507 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1611590 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/J2RDK7O9MZ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J22.148A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19400 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19400 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2735009 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/11924477 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19463235 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21210829 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21564129 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22428567 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25532938 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28295200 enrich_references.chebi_xrefs
reaxys reaxys:773905 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q26840940 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
f2141203-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-9bad-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7fa3cd1e-65bd-4f96-8cca-47821853b91b Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-9bac-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9bae-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9bab-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9111-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9bb2-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9baa-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9bb0-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9bb3-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-9baf-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
06faf7bce1848d820f2e1a62aeea47d11448aee4 Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
08a91e70-3ddc-11dd-9bb1-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-325f6b42a5f88cdb",
  "prefLabel": [
    {
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  "altLabel": [
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    },
    {
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    {
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    },
    {
      "@value": "diethylthiourea",
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    },
    {
      "@value": "Nocceler EUR",
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    {
      "@value": "Pennzone E",
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    {
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    {
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    {
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    },
    {
      "@value": "Thiourea, N,N′-diethyl-",
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