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CHEBI:36946 - thiourea

ChEBI IDCHEBI:36946
ChEBI Namethiourea
Stars
DefinitionThe simplest member of the thiourea class, consisting of urea with the oxygen atom substituted by sulfur.
Secondary ChEBI IDsCHEBI:29331, CHEBI:35015, CHEBI:46065
Last Modified5 May 2022
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaCH4N2S
Net Charge0
Average Mass76.124
Monoisotopic Mass76.00952
SMILESNC(N)=S
InChIInChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
InChIKeyUMGDCJDMYOKAJW-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
chromophore  The part (atom or group of atoms) of a molecular entity in which the electronic transition responsible for a given spectral band is approximately localized.
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
ChEBI Ontology
Outgoing Relation(s)
thiourea (CHEBI:36946) has functional parent carbonothioic O,O-acid (CHEBI:36958)
thiourea (CHEBI:36946) has functional parent urea (CHEBI:16199)
thiourea (CHEBI:36946) has role antioxidant (CHEBI:22586)
thiourea (CHEBI:36946) has role chromophore (CHEBI:23240)
thiourea (CHEBI:36946) is a one-carbon compound (CHEBI:64708)
thiourea (CHEBI:36946) is a thioureas (CHEBI:51276)
thiourea (CHEBI:36946) is a ureas (CHEBI:47857)
Incoming Relation(s)
(4-bromophenyl)thiourea (CHEBI:34391) has functional parent thiourea (CHEBI:36946)
N-acetylthiourea (CHEBI:188350) has functional parent thiourea (CHEBI:36946)
N-ethylthiourea (CHEBI:188349) has functional parent thiourea (CHEBI:36946)
N-methylthiourea (CHEBI:188347) has functional parent thiourea (CHEBI:36946)
N-phenylthiourea (CHEBI:46261) has functional parent thiourea (CHEBI:36946)
allylthiourea (CHEBI:74079) has functional parent thiourea (CHEBI:36946)
carbamothioyl group (CHEBI:48225) is substituent group from thiourea (CHEBI:36946)
IUPAC Name 
thiourea
Synonyms  Source
tuIUPAC
H2NC(S)NH2ChEBI
ThioureaKEGG COMPOUND
carbonothioic diamideIUPAC
thiocarbamideNIST Chemistry WebBook
THIOUREAPDBeChem
Manual XrefsDatabases
C14415KEGG COMPOUND
TOUPDBeChem
ThioureaWikipedia
US2552584Patent
US2560596Patent
US2173067Patent
US2393917Patent
US2357149Patent
641PPDB
Registry NumbersSources
Gmelin:1604Gmelin
Reaxys:605327Reaxys
CAS:62-56-6NIST Chemistry WebBook
CAS:62-56-6KEGG COMPOUND
CAS:62-56-6ChemIDplus
Citations