CHEBI:46261 - N-phenylthiourea

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ChEBI Name N-phenylthiourea
ChEBI ID CHEBI:46261
ChEBI ASCII Name N-phenylthiourea
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H8N2S
Net Charge 0
Average Mass 152.21700
Monoisotopic Mass 152.041
InChI InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKey FULZLIGZKMKICU-UHFFFAOYSA-N
SMILES NC(=S)Nc1ccccc1
Roles Classification
Biological Role(s): 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.
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ChEBI Ontology
Outgoing 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 Sources
1-phenyl-2-thiourea ChemIDplus
α-phenylthiourea NIST Chemistry WebBook
monophenyl thiourea ChEBI
phenyl-2-thiourea NIST Chemistry WebBook
phenylthiocarbamide ChemIDplus
phenylthiourea ChemIDplus
PhNHC(=S)NH2 ChEBI
PhNHC(S)NH2 ChEBI
PhNHCSNH2 ChEBI
PTC ChEBI
PTU ChemIDplus
Database Links Databases
CPD-7084 MetaCyc
DB03694 DrugBank
Phenylthiocarbamide Wikipedia
URS PDBeChem
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Registry Numbers Types Sources
103-85-5 CAS Registry Number NIST Chemistry WebBook
103-85-5 CAS Registry Number ChemIDplus
907309 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
27 September 2016