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

Base Information

• Chemical Name: Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(4-methylcyclohexyl) ester
• CAS No.: 42754-18-7
• Molecular Formula: C24H32N2OS
• Molecular Weight: 396.64
• DSSTox Substance ID: DTXSID30195418
• Mol file: 42754-18-7.mol

Synonyms:42754-18-7;Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(4-methylcyclohexyl) ester;DTXSID30195418;LS-52205

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

Chemical Property:

• PSA: 70.78000
• Density: 1.106g/cm³
• LogP: 7.15170
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 396.22353482
• Heavy Atom Count: 28
• Complexity: 487

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(CC1)C2=C(C=CC=N2)NC(=O)SCC3=CC=C(C=C3)C(C)(C)C
• Uses: Agricultural chemical.