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

Base Information

• Chemical Name: Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(2-methylcyclohexyl) ester
• CAS No.: 42754-17-6
• Molecular Formula: C24H32N2OS
• Molecular Weight: 396.64
• DSSTox Substance ID: DTXSID20962671
• Mol file: 42754-17-6.mol

Synonyms:42754-17-6;Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(2-methylcyclohexyl) ester;DTXSID20962671;LS-52203;S-[(4-tert-Butylphenyl)methyl] hydrogen [2-(2-methylcyclohexyl)pyridin-3-yl]carbonimidothioate

Chemical Property of Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(2-methylcyclohexyl) ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 70.78000
• Density: 1.106g/cm³
• LogP: 7.15170
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 396.22353482
• Heavy Atom Count: 28
• Complexity: 495

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: CC1CCCCC1C2=C(C=CC=N2)NC(=O)SCC3=CC=C(C=C3)C(C)(C)C
• Uses: Agricultural chemical.

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