2-Formylbenzo[b]thiophene-5-carbonitrile

Base Information

• Chemical Name: 2-Formylbenzo[b]thiophene-5-carbonitrile
• CAS No.: 105191-42-2
• Molecular Formula: C10H5NOS
• Molecular Weight: 187.21800
• DSSTox Substance ID: DTXSID801277319
• Mol file: 105191-42-2.mol

Synonyms:2-formylbenzo[b]thiophene-5-carbonitrile;105191-42-2;SCHEMBL7385105;WCTIDZVDTNFABJ-UHFFFAOYSA-N;DTXSID801277319;5-cyanobenzo[b]thiophene-2-carbaldehyde

Chemical Property of 2-Formylbenzo[b]thiophene-5-carbonitrile

Chemical Property:

• Melting Point: 220 - 222 °C
• PSA: 69.10000
• LogP: 2.58548
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 187.00918496
• Heavy Atom Count: 13
• Complexity: 257

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C#N)C=C(S2)C=O

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