4-(4-Chlorophenyl)pyrimidine-2-thiol

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Systematic / IUPAC Name: 4-(4-Chlorophenyl)-2(1H)-pyrimidinethione

ID: Reference5612

Other Names: 4-(4-Chlorophenyl)-3H-pyrimidine-2-thione;
6-(4-Chlorophenyl)-1H-pyrimidine-2-thione;
6-(4-Chlorophenyl)pyrimidine-2(1H)-thione

Formula: C10H7ClN2S

Spectral Data

4-(4-Chlorophenyl)pyrimidine-2-thiol 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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/14/2016 7:04:28 AM
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Identificators

InChI InChI=1S/C10H7ClN2S/c11-8-3-1-7(2-4-8)9-5-6-12-10(14)13-9/h1-6H,(H,12,13,14)
InChI Key TWKIWOOKHPWUIM-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC=C1C2=CC=NC(=S)N2)Cl
CAS 175203084
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Other Names 4-(4-Chlorophenyl)-3H-pyrimidine-2-thione;
6-(4-Chlorophenyl)-1H-pyrimidine-2-thione;
6-(4-Chlorophenyl)pyrimidine-2(1H)-thione

In Other Databases

PubChem 2735805
ChemSpider 2017491
ChEMBL CHEMBL1534888