4-(S-Acetylthiomethyl)benzaldehyde

Base Information

• Chemical Name: 4-(S-Acetylthiomethyl)benzaldehyde
• CAS No.: 156866-53-4
• Molecular Formula: C10H10O2S
• Molecular Weight: 194.254
• DSSTox Substance ID: DTXSID901276752
• Nikkaji Number: J1.476.023G
• Mol file: 156866-53-4.mol

Synonyms:SCHEMBL3285808;GBKJZXDXGKMGLM-UHFFFAOYSA-N;DTXSID901276752;4-(S-Acetylthiomethyl)benzaldehyde;156866-53-4;S-[(4-formylphenyl)methyl] ethanethioate;Thioacetic acid S-(4-formylbenzyl) ester

Chemical Property of 4-(S-Acetylthiomethyl)benzaldehyde

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.04015073
• Heavy Atom Count: 13
• Complexity: 183

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• Canonical SMILES: CC(=O)SCC1=CC=C(C=C1)C=O

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