Tiomergine
[CAS# 57935-49-6]

Identification

• Name: Tiomergine
• Synonyms: Tiomergine [Inn]; Tiomerginum [Inn-Latin]; 9,10-Didehydro-6-Methyl-8 Beta-(2-Pyridylthiomethyl)Ergoline
• Molecular Formula: C₂₁H₂₁N₃S
• Molecular Weight: 347.48
• CAS Registry Number: 57935-49-6
• SMILES: C5=C2C1=C([NH]C=C1CC4C2=CC(CSC3=NC=CC=C3)CN4C)C=C5
• InChI: 1S/C21H21N3S/c1-24-12-14(13-25-20-7-2-3-8-22-20)9-17-16-5-4-6-18-21(16)15(11-23-18)10-19(17)24/h2-9,11,14,19,23H,10,12-13H2,1H3
• InChIKey: VCRAKEDGLIINLR-UHFFFAOYSA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 582.577°C at 760 mmHg (Cal.)
• Flash point: 306.132°C (Cal.)