4-Pyridin-3-ylpyrimidine-2(1H)-thione

CAS: 393516-77-3

Ref. 3D-FP124359

Product Information

• Name: 4-Pyridin-3-ylpyrimidine-2(1H)-thione
• Synonyms: 2(1H)-pyrimidinethione, 4-(3-pyridinyl)-, 4-(3-Pyridyl)pyrimidine-2-thiol, 4-(Pyridin-3-yl)pyrimidin-2-thiol, 4-(Pyridin-3-yl)pyrimidine-2-thiol

Description

4-Pyridin-3-ylpyrimidine-2(1H)-thione is a pyridine molecule with three pyridine rings. It has the molecular formula C5H5N, and it is an oxidizing agent that can react with other chemicals to generate new compounds. The molecule's geometry can be described as planar, with a rotational barrier of 0.14 kcal/mol and an angle of 180° between the two nitrogen atoms on opposite sides of the ring. 4-Pyridin-3-ylpyrimidine-2(1H)-thione can be found in nature as a ligand for metal ions or as a conformation for proteins. It has been shown to form oxidative coupling reactions with other molecules, such as benzaldehyde and phenol, which are used in organic synthesis. The compound has also been shown to have photophysical properties that are dependent on its oxidation state.

• Brand: Biosynth

Chemical properties

• Molecular weight: 189.24 g/mol
• Formula: C₉H₇N₃S
• Purity: Min. 95%
• InChI: InChI=1S/C9H7N3S/c13-9-11-5-3-8(12-9)7-2-1-4-10-6-7/h1-6H,(H,11,12,13)
• InChI key: InChIKey=CGQNGCGHBQHWNP-UHFFFAOYSA-N
• SMILES: S=c1nccc(-c2cccnc2)[nH]1