3-Methylthio-2-benzo[b]thiophenecarboxaldehyde

Base Information

• Chemical Name: 3-Methylthio-2-benzo[b]thiophenecarboxaldehyde
• CAS No.: 50451-79-1
• Molecular Formula: C10H8OS2
• DSSTox Substance ID: DTXSID301235588
• Nikkaji Number: J599.933B

Synonyms:50451-79-1;3-Methylthio-2-benzo[b]thiophenecarboxaldehyde;DTXSID301235588;3-Methylthio-2-benzo[b]thiophenecarbaldehyde;2-formyl-3-(methylmercapto)benzo[b]thiophene;3-(Methylthio)benzo[b]thiophene-2-carboxaldehyde;3-(Methylsulfanyl)-1-benzothiophene-2-carbaldehyde #

Chemical Property of 3-Methylthio-2-benzo[b]thiophenecarboxaldehyde

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 208.00165722
• Heavy Atom Count: 13
• Complexity: 195

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• Canonical SMILES: CSC1=C(SC2=CC=CC=C21)C=O

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