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

Base Information

• Chemical Name: Carbonimidothioic acid, 3-pyridinyl-, O-cyclopentyl S-((4-(1,1-dimethylethyl)phenyl)methyl) ester
• CAS No.: 42754-15-4
• Molecular Formula: C22H28 N2 O S
• Molecular Weight: 368.58
• DSSTox Substance ID: DTXSID50962669
• Wikidata: Q82944388
• Mol file: 42754-15-4.mol

Synonyms:42754-15-4;Carbonimidothioic acid, 3-pyridinyl-, O-cyclopentyl S-((4-(1,1-dimethylethyl)phenyl)methyl) ester;DTXSID50962669;LS-52195;S-[(4-tert-Butylphenyl)methyl] hydrogen (2-cyclopentylpyridin-3-yl)carbonimidothioate

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

Chemical Property:

• Density: 1.149g/cm³
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 368.19223469
• Heavy Atom Count: 26
• Complexity: 448

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Moderately toxic by ingestion.
• Hazard Codes: Moderately toxic by ingestion.

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)CSC(=O)NC2=C(N=CC=C2)C3CCCC3
• Uses: Agricultural chemical.

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