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

Base Information

• Chemical Name: Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl O-(3-methylcyclohexyl) ester
• CAS No.: 42723-79-5
• Molecular Formula: C24H32N2OS
• Molecular Weight: 396.64
• DSSTox Substance ID: DTXSID20962651
• Mol file: 42723-79-5.mol

Synonyms:42723-79-5;Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl O-(3-methylcyclohexyl) ester;C24H32N2OS;DTXSID20962651;LS-52204;Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(3-methylcyclohexyl) ester;S-[(4-tert-Butylphenyl)methyl] hydrogen [2-(3-methylcyclohexyl)pyridin-3-yl]carbonimidothioate

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

Chemical Property:

• Boiling Point: 512.2±52.0 °C(Predicted)
• PKA: 4.17±0.12(Predicted)
• 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: 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: CC1CCCC(C1)C2=C(C=CC=N2)NC(=O)SCC3=CC=C(C=C3)C(C)(C)C
• Uses: Agricultural chemical.