S-((4-(1,1-Dimethylethyl)Phenyl)Methyl) O-Octyl 3-Pyridinylcarbonimidothioate
[CAS# 51308-71-5]

Identification

• Name: S-((4-(1,1-Dimethylethyl)Phenyl)Methyl) O-Octyl 3-Pyridinylcarbonimidothioate
• Synonyms: S-[(4-Tert-Butylphenyl)Methyl] [(2-Octyl-3-Pyridyl)Amino]Methanethioate; [(2-Octyl-3-Pyridyl)Amino]Methanethioic Acid S-[(4-Tert-Butylphenyl)Methyl] Ester; [(2-Octyl-3-Pyridyl)Amino]Methanethioic Acid S-(4-Tert-Butylbenzyl) Ester
• Molecular Formula: C₂₅H₃₆N₂OS
• Molecular Weight: 412.63
• CAS Registry Number: 51308-71-5
• SMILES: C2=C(NC(=O)SCC1=CC=C(C=C1)C(C)(C)C)C(=NC=C2)CCCCCCCC
• InChI: 1S/C25H36N2OS/c1-5-6-7-8-9-10-12-22-23(13-11-18-26-22)27-24(28)29-19-20-14-16-21(17-15-20)25(2,3)4/h11,13-18H,5-10,12,19H2,1-4H3,(H,27,28)
• InChIKey: OPUZITFFUBBJJK-UHFFFAOYSA-N

Properties

• Density: 1.061g/cm³ (Cal.)