Carbonimidothioic acid, 3-pyridinyl-, O-(3,4-dimethylcyclohexyl) S-((4-(1,1-dimethylethyl)phenyl)methyl) ester

Base Information

• Chemical Name: Carbonimidothioic acid, 3-pyridinyl-, O-(3,4-dimethylcyclohexyl) S-((4-(1,1-dimethylethyl)phenyl)methyl) ester
• CAS No.: 42754-20-1
• Molecular Formula: C25H34N2OS
• Molecular Weight: 410.67
• DSSTox Substance ID: DTXSID40962673
• Mol file: 42754-20-1.mol

Synonyms:42754-20-1;Carbonimidothioic acid, 3-pyridinyl-, O-(3,4-dimethylcyclohexyl) S-((4-(1,1-dimethylethyl)phenyl)methyl) ester;DTXSID40962673;LS-52197;O-(3,4-Dimethylcyclohexyl)s-((4-(1,1-dimethylethyl)phenyl)methyl)-3-pyridinylcarbonimidothioate;S-[(4-tert-Butylphenyl)methyl] hydrogen [2-(3,4-dimethylcyclohexyl)pyridin-3-yl]carbonimidothioate

Chemical Property of Carbonimidothioic acid, 3-pyridinyl-, O-(3,4-dimethylcyclohexyl) S-((4-(1,1-dimethylethyl)phenyl)methyl) ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 70.78000
• Density: 1.085g/cm³
• LogP: 7.39770
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 410.23918489
• Heavy Atom Count: 29
• Complexity: 523

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Moderately toxic by ingestion.
• Hazard Codes: Moderately toxic by ingestion.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(CC1C)C2=C(C=CC=N2)NC(=O)SCC3=CC=C(C=C3)C(C)(C)C
• Uses: Agricultural chemical.