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CHEBI:138415 - N,N'-dibutylthiourea

ChEBI IDCHEBI:138415
ChEBI NameN,N'-dibutylthiourea
Stars
ASCII NameN,N'-dibutylthiourea
DefinitionThiourea in which each nitrogen carries a butyl substituent.
Last Modified13 September 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC9H20N2S
Net Charge0
Average Mass188.340
Monoisotopic Mass188.13472
SMILESCCCCNC(=S)NCCCC
InChIInChI=1S/C9H20N2S/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)
InChIKeyKFFQABQEJATQAT-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'-dibutylthiourea (CHEBI:138415) has role allergen (CHEBI:50904)
N,N'-dibutylthiourea (CHEBI:138415) is a thioureas (CHEBI:51276)
IUPAC Name 
N,N'-dibutylthiourea
Synonyms  Source
1,3-DibutylthioureaChemIDplus
1,3-Dibutyl-2-thioureaChemIDplus
1,3-Di-n-butyl-2-thioureaChemIDplus
N,N'-di-n-butylthioureaChEBI
DBTUChEBI
s-dibutylthioureaChEBI
Registry NumbersSources
Reaxys:507434Reaxys
CAS:109-46-6ChemIDplus
CAS:109-46-6NIST Chemistry WebBook
Citations