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

Base Information

• Chemical Name: Carbonimidothioic acid, 3-pyridinyl-, O-(3,5-dimethylcyclohexyl) S-((4-(1,1-dimethylethyl)phenyl)methyl) ester
• CAS No.: 42754-21-2
• Molecular Formula: C25H34 N2 O S
• Molecular Weight: 410.67
• DSSTox Substance ID: DTXSID00962674
• Mol file: 42754-21-2.mol

Synonyms:42754-21-2;Carbonimidothioic acid, 3-pyridinyl-, O-(3,5-dimethylcyclohexyl) S-((4-(1,1-dimethylethyl)phenyl)methyl) ester;DTXSID00962674;LS-52198;S-[(4-tert-Butylphenyl)methyl] hydrogen [2-(3,5-dimethylcyclohexyl)pyridin-3-yl]carbonimidothioate

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

Chemical Property:

• 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: 513

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: CC1CC(CC(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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