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CHEBI:82448 - N,N'-diethylthiourea

ChEBI IDCHEBI:82448
ChEBI NameN,N'-diethylthiourea
Stars
ASCII NameN,N'-diethylthiourea
DefinitionThiourea in which each nitrogen carries an ethyl substituent.
Last Modified13 September 2017
DownloadsMolfile
FormulaC5H12N2S
Net Charge0
Average Mass132.232
Monoisotopic Mass132.07212
SMILESCCNC(=S)NCC
InChIInChI=1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
InChIKeyFLVIGYVXZHLUHP-UHFFFAOYSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
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  Source
1,3-DiethylthioureaChemIDplus
N,N-Diethyl-2-thioureaChemIDplus
Thiate HChemIDplus
1,3-Diethyl-2-thioureaChemIDplus
Pennzone EChemIDplus
N,N'-DiethylthiocarbamideChemIDplus
Manual XrefsDatabases
C19400KEGG COMPOUND
Registry NumbersSources
Reaxys:773905Reaxys
CAS:105-55-5KEGG COMPOUND
CAS:105-55-5ChemIDplus
CAS:105-55-5NIST Chemistry WebBook
Citations