S-[4-(2-Methyl-2-propanyl)benzyl] [2-(3,4-dimethylcyclohexyl)-3-pyridinyl]carbamothioate
[CAS# 42754-20-1]

Identification

• Name: S-[4-(2-Methyl-2-propanyl)benzyl] [2-(3,4-dimethylcyclohexyl)-3-pyridinyl]carbamothioate
• Synonyms: S-[(4-Tert-Butylphenyl)Methyl] [[2-(3,4-Dimethylcyclohexyl)-3-Pyridyl]Amino]Methanethioate; [[2-(3,4-Dimethylcyclohexyl)-3-Pyridyl]Amino]Methanethioic Acid S-[(4-Tert-Butylphenyl)Methyl] Ester; [[2-(3,4-Dimethylcyclohexyl)-3-Pyridyl]Amino]Methanethioic Acid S-(4-Tert-Butylbenzyl) Ester
• Molecular Formula: C₂₅H₃₄N₂OS
• Molecular Weight: 410.62
• CAS Registry Number: 42754-20-1
• SMILES: C2=C(NC(=O)SCC1=CC=C(C=C1)C(C)(C)C)C(=NC=C2)C3CC(C(CC3)C)C
• InChI: 1S/C25H34N2OS/c1-17-8-11-20(15-18(17)2)23-22(7-6-14-26-23)27-24(28)29-16-19-9-12-21(13-10-19)25(3,4)5/h6-7,9-10,12-14,17-18,20H,8,11,15-16H2,1-5H3,(H,27,28)
• InChIKey: DFKWICSTUMWXJN-UHFFFAOYSA-N

Properties

• Density: 1.085g/cm³ (Cal.)