Thiochrome
[CAS# 92-35-3]

Identification

• Classification: Analytical chemistry >> Standard >> Analytical standard
• Name: Thiochrome
• Synonyms: 2,7-Dimethylthiachromine-8-Ethanol; 2-(2,7-Dimethyl-5H-Thiazolo(3',2':1,2)Pyrimido(4,5-D)Pyrimidin-8-Yl)Ethanol; Nchembio.2007.55-Comp4
• Molecular Formula: C₁₂H₁₄N₄OS
• Molecular Weight: 262.33
• CAS Registry Number: 92-35-3
• EINECS: 202-149-9
• SMILES: C1=NC(=NC2=C1CN3C(=N2)SC(=C3C)CCO)C
• InChI: 1S/C12H14N4OS/c1-7-10(3-4-17)18-12-15-11-9(6-16(7)12)5-13-8(2)14-11/h5,17H,3-4,6H2,1-2H3
• InChIKey: GTQXMAIXVFLYKF-UHFFFAOYSA-N

Properties

• Density: 1.497g/cm³ (Cal.)
• Boiling point: 462.552°C at 760 mmHg (Cal.)
• Flash point: 233.543°C (Cal.)

References

• (1): Shirey et al.. An allosteric potentiator suggests a role for M4 mAChR in modulating excitatory hippocampal synaptic transmission, Nature Chemical Biology, 2007