5-(1-Adamantyl)-4-Ethyl-2H-1,2,4-Triazole-3-Thione
[CAS# 139158-25-1]

Identification

• Name: 5-(1-Adamantyl)-4-Ethyl-2H-1,2,4-Triazole-3-Thione
• Synonyms: 2,4-Dihydro-4-Ethyl-5-Tricyclo(3.3.1.1(Sup 3,7))Dec-1-Yl-3H-1,2,4-Triazole-3-Thione; 3-(1-Adamantyl)-4-Ethyl-5-Mercapto-1,2,4-Triazole; 3H-1,2,4-Triazole-3-Thione, 2,4-Dihydro-4-Ethyl-5-Tricyclo(3.3.1.1(Sup 3,7))Dec-1-Yl-
• Molecular Formula: C₁₄H₂₁N₃S
• Molecular Weight: 263.40
• CAS Registry Number: 139158-25-1
• SMILES: C(N1C(=NNC1=S)C24CC3CC(C2)CC(C3)C4)C
• InChI: 1S/C14H21N3S/c1-2-17-12(15-16-13(17)18)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,2-8H2,1H3,(H,16,18)
• InChIKey: ZVCRUHHERRHVBC-UHFFFAOYSA-N

Properties

• Density: 1.485g/cm³ (Cal.)
• Boiling point: 348.592°C at 760 mmHg (Cal.)
• Flash point: 164.623°C (Cal.)