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CHEBI:74079 - allylthiourea

ChEBI IDCHEBI:74079
ChEBI Nameallylthiourea
Stars
DefinitionA thiourea with a prop-2-enyl group attached to one of the amines.
Last Modified19 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC4H8N2S
Net Charge0
Average Mass116.189
Monoisotopic Mass116.04082
SMILESC=CCNC(N)=S
InChIInChI=1S/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
InChIKeyHTKFORQRBXIQHD-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
allylthiourea (CHEBI:74079) has functional parent thiourea (CHEBI:36946)
allylthiourea (CHEBI:74079) has role metabolite (CHEBI:25212)
allylthiourea (CHEBI:74079) is a thioureas (CHEBI:51276)
IUPAC Name 
1-prop-2-en-1-ylthiourea
Synonyms  Source
(2-Propenyl)thioureaChemIDplus
1-Allyl-2-thioureaChemIDplus
TiosinamineChemIDplus
Registry NumbersSources
Reaxys:1071470Reaxys
CAS:109-57-9ChemIDplus
Citations