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CHEBI:188347 - N-methylthiourea

ChEBI IDCHEBI:188347
ChEBI NameN-methylthiourea
Stars
ASCII NameN-methylthiourea
DefinitionA member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a methyl group.
Last Modified5 May 2022
Submitterbroose.reactome@gmail.com
DownloadsMolfile
FormulaC2H6N2S
Net Charge0
Average Mass90.151
Monoisotopic Mass90.02517
SMILESCNC(N)=S
InChIInChI=1S/C2H6N2S/c1-4-2(3)5/h1H3,(H3,3,4,5)
InChIKeyKQJQICVXLJTWQD-UHFFFAOYSA-N
Roles Classification
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
hepatotoxic agent  A role played by a chemical compound exhibiting itself through the ability to induce damage to the liver in animals.
ChEBI Ontology
Outgoing Relation(s)
N-methylthiourea (CHEBI:188347) has functional parent thiourea (CHEBI:36946)
N-methylthiourea (CHEBI:188347) has role drug metabolite (CHEBI:49103)
N-methylthiourea (CHEBI:188347) has role hepatotoxic agent (CHEBI:50908)
N-methylthiourea (CHEBI:188347) has role human xenobiotic metabolite (CHEBI:76967)
N-methylthiourea (CHEBI:188347) is a thioureas (CHEBI:51276)
IUPAC Name 
N-methylthiourea
Synonyms  Source
1-methylthioureaChemIDplus
1-methyl-2-thioureaChemIDplus
methylthioureaChemIDplus
N-methylthioureaChemIDplus
1-methylthiocarbamideChemIDplus
methyl thioureaChemIDplus
Manual XrefsDatabases
2005903ChemSpider
Registry NumbersSources
Reaxys:506162Reaxys
CAS:598-52-7ChemIDplus
CAS:598-52-7NIST Chemistry WebBook
Citations