Carbonimidothioic acid, 3-pyridinyl-, O-(2,5-dimethylcyclohexyl) S-((4-(1,1-dimethylethyl)phenyl)methyl) ester

Base Information

• Chemical Name: Carbonimidothioic acid, 3-pyridinyl-, O-(2,5-dimethylcyclohexyl) S-((4-(1,1-dimethylethyl)phenyl)methyl) ester
• CAS No.: 42754-19-8
• Molecular Formula: C25H34N2OS
• Molecular Weight: 410.67
• DSSTox Substance ID: DTXSID80962672
• Mol file: 42754-19-8.mol

Synonyms:42754-19-8;Carbonimidothioic acid, 3-pyridinyl-, O-(2,5-dimethylcyclohexyl) S-((4-(1,1-dimethylethyl)phenyl)methyl) ester;C25H34N2OS;DTXSID80962672;LS-52196;S-[(4-tert-Butylphenyl)methyl] hydrogen [2-(2,5-dimethylcyclohexyl)pyridin-3-yl]carbonimidothioate

Chemical Property of Carbonimidothioic acid, 3-pyridinyl-, O-(2,5-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: 7
• 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(C(C1)C2=C(C=CC=N2)NC(=O)SCC3=CC=C(C=C3)C(C)(C)C)C
• Uses: Agricultural chemical.

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