RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0037030
RefMet name4-Bromophenylthiourea
Systematic name1-(4-bromophenyl)thiourea
SynonymsPubChem Synonyms
Exact mass229.951331 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC7H7BrN2SView other entries in RefMet with this formula
Molecular descriptors
Molfile54975 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C7H7BrN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKeyMRVQULNOKCOGHC-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1cc(ccc1Br)NC(=S)N
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Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassOther benzenes
Distribution of 4-Bromophenylthiourea in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 4-Bromophenylthiourea
External Links
Pubchem CID2735620
ChEBI ID34391
KEGG IDC14644
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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