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CHEBI:46261 - N-phenylthiourea

ChEBI IDCHEBI:46261
ChEBI NameN-phenylthiourea
Stars
ASCII NameN-phenylthiourea
DefinitionA member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a phenyl group. Depending on their genetic makeup, humans find it either very bitter-tasting or tasteless. This unusual property resulted in N-phenylthiourea being used in paternity testing prior to the advent of DNA testing.
Last Modified27 September 2016
DownloadsMolfile
FormulaC7H8N2S
Net Charge0
Average Mass152.222
Monoisotopic Mass152.04082
SMILESNC(=S)Nc1ccccc1
InChIInChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKeyFULZLIGZKMKICU-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
EC 1.14.18.1 (tyrosinase) inhibitor  Any EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor that interferes with the action of tyrosinase (monophenol monooxygenase), EC 1.14.18.1, an enzyme that catalyses the oxidation of phenols (such as tyrosine) and is widespread in plants and animals.
ChEBI Ontology
Outgoing Relation(s)
N-phenylthiourea (CHEBI:46261) has functional parent thiourea (CHEBI:36946)
N-phenylthiourea (CHEBI:46261) has role EC 1.14.18.1 (tyrosinase) inhibitor (CHEBI:59997)
N-phenylthiourea (CHEBI:46261) is a thioureas (CHEBI:51276)
IUPAC Name 
1-phenylthiourea
Synonyms  Source
PTUChemIDplus
1-phenyl-2-thioureaChemIDplus
phenylthioureaChemIDplus
phenylthiocarbamideChemIDplus
phenyl-2-thioureaNIST Chemistry WebBook
α-phenylthioureaNIST Chemistry WebBook
Manual XrefsDatabases
URSPDBeChem
DB03694DrugBank
CPD-7084MetaCyc
PhenylthiocarbamideWikipedia
Registry NumbersSources
Reaxys:907309Reaxys
CAS:103-85-5ChemIDplus
CAS:103-85-5NIST Chemistry WebBook
Citations