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CAS 155957-44-1

:

6-(4-Nitrophenyl)-2(1H)-pyrimidinethione

Description:
6-(4-Nitrophenyl)-2(1H)-pyrimidinethione, with the CAS number 155957-44-1, is a chemical compound characterized by its pyrimidinethione core, which features a nitrogen-containing heterocyclic structure. The presence of a 4-nitrophenyl group indicates that there is a nitro substituent on a phenyl ring, contributing to the compound's electronic properties and potential reactivity. This compound is likely to exhibit properties typical of thiones, such as the ability to participate in nucleophilic reactions due to the sulfur atom's lone pair. Additionally, the nitro group can influence the compound's polarity and solubility in various solvents. The structural features suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as compounds with similar structures often exhibit biological activity. However, specific characteristics such as melting point, boiling point, and solubility would require empirical data for precise information. Overall, this compound represents a class of organic molecules that may be of interest in both synthetic and applied chemistry contexts.
Formula:C10H7N3O2S
InChI:InChI=1S/C10H7N3O2S/c14-13(15)8-3-1-7(2-4-8)9-5-6-11-10(16)12-9/h1-6H,(H,11,12,16)
InChI key:InChIKey=NUDDNAROSYKUJL-UHFFFAOYSA-N
SMILES:S=C1NC(C2=CC=C(N(=O)=O)C=C2)=CC=N1
Synonyms:
  • 2(1H)-Pyrimidinethione, 4-(4-nitrophenyl)-
  • 2(1H)-Pyrimidinethione, 6-(4-nitrophenyl)-
  • 6-(4-Nitrophenyl)-2(1H)-pyrimidinethione
  • 6-(4-nitrophenyl)-1,2-dihydropyriMidine-2-thione
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