4,6-Dimethyl-2-Pyrimidinethiol
[CAS# 131321-42-1]

Identification

• Name: 4,6-Dimethyl-2-Pyrimidinethiol
• Synonyms: "4,6-Di methyl-2-pyrimidinethiol"; "4,6-Dimethyl-2-mercaptopyrimidine"; "4,6-Dimethyl-2-pyrimidinethiol"
• Molecular Formula: C₆H₈N₂S
• Molecular Weight: 140.21
• CAS Registry Number: 131321-42-1
• SMILES: CC1=CC(=NC(=N1)S)C
• InChI: 1S/C6H8N2S/c1-4-3-5(2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)
• InChIKey: RAFAYWADRVMWFA-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 219°C (Expl.)
• Boiling point: 267.3±43.0°C at 760 mmHg (Cal.)
• Flash point: 115.4±28.2°C (Cal.)
• Refractive index: 1.58 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin

References

• (1): P. Aslanidis, P. J. Cox and A. C. Tsipis. Structural and electronic properties of luminescent copper(i) halide complexes of bis[2-(diphenylphosphano)phenyl] ether (DPEphos). Crystal structure of [CuCl(DPEphos)(dmpymtH], Dalton Trans., 2010, 39, 10238.