2-[(2-Chlorobenzyl)thio]-6-methylpyrimidin-4-ol

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Systematic / IUPAC Name: 2-[(2-Chlorobenzyl)sulfanyl]-6-methyl-4(1H)-pyrimidinone

ID: Reference4196

Other Names: 2-(2-Chloro-benzylsulfanyl)-6-methyl-pyrimidin-4-ol;
2-[(2-Chlorobenzyl)sulfanyl]-6-methylpyrimidin-4-ol;
2-[(2-Chlorophenyl)methylthio]-6-methyl-3-hydropyrimidin-4-one

Formula: C12H11ClN2OS

Spectral Data

2-[(2-Chlorobenzyl)thio]-6-methylpyrimidin-4-ol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/14/2016 12:44:46 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C12H11ClN2OS/c1-8-6-11(16)15-12(14-8)17-7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H,14,15,16)
InChI Key JMFQIUITYYSCIG-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=O)N=C(N1)SCC2=CC=CC=C2Cl
CAS
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Other Names 2-(2-Chloro-benzylsulfanyl)-6-methyl-pyrimidin-4-ol;
2-[(2-Chlorobenzyl)sulfanyl]-6-methylpyrimidin-4-ol;
2-[(2-Chlorophenyl)methylthio]-6-methyl-3-hydropyrimidin-4-one

In Other Databases

PubChem 241165
ChemSpider 210755