Benzenecarbothioic acid, 2-benzoyl-, S-dodecyl ester

Base Information

• Chemical Name: Benzenecarbothioic acid, 2-benzoyl-, S-dodecyl ester
• CAS No.: 185062-47-9
• Molecular Formula: C26H34O2S
• DSSTox Substance ID: DTXSID80440925
• Nikkaji Number: J795.813G
• Mol file: 185062-47-9.mol

Synonyms:Benzenecarbothioic acid, 2-benzoyl-, S-dodecyl ester;185062-47-9;DTXSID80440925;2-Benzoylthiobenzoic acid S-dodecyl ester

Chemical Property of Benzenecarbothioic acid, 2-benzoyl-, S-dodecyl ester

Chemical Property:

• XLogP3: 9.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 410.22795150
• Heavy Atom Count: 29
• Complexity: 456

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCSC(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2

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