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1,3-dibutyl-2-thiourea

fo-6647f67910e75a25

Identity

Type
Neutral molecule
CAS
109-46-6
EC
203-674-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,3-dibutyl-2-thiourea

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KFFQABQEJATQAT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H20N2S/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)
IUPAC name chemrof:IUPAC_name 1,3-dibutyl-2-thiourea
Molecular formula chemrof:molecular_formula C9H20N2S
Molecular mass chemrof:molecular_mass 188.34
Monoisotopic mass chemrof:monoisotopic_mass 188.13472
SMILES string chemrof:smiles_string CCCCNC(=S)NCCCC

Known URLs

16

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=109-46-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:138415 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.341 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8042187 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3735 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4148 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183795 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3154M2Q6GD enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2930.90.71.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J22.119H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2723622 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/15606652 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28295200 enrich_references.chebi_xrefs
reaxys reaxys:507434 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q19059365 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/N,N%27-Di-n-butylthiourea enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
099990f3-0ada-4b23-90d5-5de2251d5b2d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0e0f0425-c925-450c-b91d-49df4c037e88 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6ed3fe28-2150-4392-abdd-24436c577628 Environmental → Air → Indoor EF 3.1 kg 2
5fc305ff-f30a-444a-9166-9ad9214184ab Environmental → Air → Long-term EF 3.1 kg 0
00d4ed55-72c0-4476-a50c-5b2c9bfb2ed9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
faba854f-6604-48dc-b318-355865a9d186 Environmental → Air → Unknown EF 3.1 kg 2
81e3436f-f69c-483c-9587-5fe7bc53cc02 Environmental → Ground → Agricultural EF 3.1 kg 2
0dcdbead-5a4d-472d-8341-f5862a9103f4 Environmental → Ground → Non-agricultural EF 3.1 kg 2
9e782a09-edab-4e00-abe8-c18d3f889f2d Environmental → Ground → Unknown EF 3.1 kg 2
df9ab0b5-a1cb-4f0f-8823-67b9c79e6b14 Environmental → Water → Long-term EF 3.1 kg 0
2f21bdee-be4b-4623-b98f-f8a36f07f550 Environmental → Water → Ocean EF 3.1 kg 2
82641453-47bf-4a25-97ff-4ae469586446 Environmental → Water → Surface water EF 3.1 kg 2
3e226481-9fc0-4357-a3c5-a39453ddc979 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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