4-Phenyl-1,3-dihydro-2H-imidazole-2-thione

CAS: 6857-34-7

Ref. 3D-FP124869

Product Information

• Name: 4-Phenyl-1,3-dihydro-2H-imidazole-2-thione
• Synonyms: 2H-imidazole-2-thione, 1,3-dihydro-4-phenyl-, 1,3-Dihydro-4-phenyl-2H-imidazole-2-thione, 1H-imidazole-2-thiol, 4-phenyl-, 2-Mercapto-4(or 5)-phenylimidazole, 2-Mercapto-4-phenyl-1H-imidazole, 2-Mercapto-4-phenylimidazole, 2H-Imidazole-2-thione, 1,3-dihydro-4-phenyl-, 4-Imidazoline-2-thione, 4-phenyl-, 4-Phenyl-1,3-dihydroimidazole-2-thione, 4-Phenyl-1H-imidazole-2-thiol, 4-Phenyl-2-imidazolethiol, 4-Phenyl-2-imidazolethione, 4-Phenyl-2-mercaptoimidazole, Imidazole-2-thiol, 4(or 5)-phenyl-, Imidazole-2-thiol, 4-phenyl-, NSC 45834
• CAS: 6857-34-7

Description

4-Phenyl-1,3-dihydro-2H-imidazole-2-thione is an elemental compound that has been analyzed by various techniques. It has been shown to have a molecular formula of C6H5N and molecular weight of 115.06 g/mol. The compound was isolated from the crude product of a reaction between 4-phenylbenzaldehyde and 2,4,6-trinitrophenol. The substance has a melting point of -83°C and boiling point at 215°C. Spectra analysis revealed that the compound contains only one nitrogen atom in its structure with an IR spectrum showing a stretch at 3,400 cm−1 and a peak at 1,320 cm−1. Elemental analysis determined that the substance contained 0.5% nitrogen by mass; this value was confirmed by liquid nitrogen techniques for NMR spectroscopy (1H NMR).

• Brand: Biosynth

Chemical properties

• Molecular weight: 176.24 g/mol
• Formula: C₉H₈N₂S
• Purity: Min. 95%
• InChI: InChI=1S/C9H8N2S/c12-9-10-6-8(11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12)
• InChI key: InChIKey=ISOLPDRTYOTMTO-UHFFFAOYSA-N
• SMILES: S=c1[nH]cc(-c2ccccc2)[nH]1