CHEBI:82448 - N,N'-diethylthiourea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N,N'-diethylthiourea
ChEBI ID CHEBI:82448
ChEBI ASCII Name N,N'-diethylthiourea
Definition Thiourea in which each nitrogen carries an ethyl substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C5H12N2S
Net Charge 0
Average Mass 132.22700
Monoisotopic Mass 132.07212
InChI InChI=1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
InChIKey FLVIGYVXZHLUHP-UHFFFAOYSA-N
SMILES CCNC(=S)NCC
Roles Classification
Biological Role(s): allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
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ChEBI Ontology
Outgoing N,N'-diethylthiourea (CHEBI:82448) has role allergen (CHEBI:50904)
N,N'-diethylthiourea (CHEBI:82448) is a thioureas (CHEBI:51276)
IUPAC Name
N,N'-diethylthiourea
Synonyms Sources
1,3-Diethyl-2-thiourea ChemIDplus
1,3-Diethylthiourea ChemIDplus
DETU ChEBI
diethylthiourea ChEBI
N,N'-Diethylthiocarbamide ChemIDplus
N,N-Diethyl-2-thiourea ChemIDplus
Pennzone E ChemIDplus
Thiate H ChemIDplus
Manual Xref Database
C19400 KEGG COMPOUND
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Registry Numbers Types Sources
105-55-5 CAS Registry Number ChemIDplus
105-55-5 CAS Registry Number NIST Chemistry WebBook
773905 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11924477 PubMed citation Europe PMC
19463235 PubMed citation Europe PMC
21210829 PubMed citation Europe PMC
21564129 PubMed citation Europe PMC
22428567 PubMed citation Europe PMC
25532938 PubMed citation Europe PMC
28295200 PubMed citation Europe PMC
Last Modified
13 September 2017