5-Iodo-benzo[b]thiophene-2-carboxylic acid ethyl ester

Base Information

• Chemical Name: 5-Iodo-benzo[b]thiophene-2-carboxylic acid ethyl ester
• CAS No.: 13771-70-5
• Molecular Formula: C₁₁H₉IO₂S
• Molecular Weight: 332.162
• DSSTox Substance ID: DTXSID90477429
• Wikidata: Q82310006
• Mol file: 13771-70-5.mol

Synonyms:5-iodo-benzo[b]thiophene-2-carboxylic acid ethyl ester;13771-70-5;SCHEMBL1882906;DTXSID90477429;BZSXRTIPOXRLPU-UHFFFAOYSA-N;ethyl 5-iodobenzo[b]thiophene-2-carboxylate;5-iodo -benzo[b]thiophene-2-carboxylic acid ethyl ester

Chemical Property of 5-Iodo-benzo[b]thiophene-2-carboxylic acid ethyl ester

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 331.93680
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(S1)C=CC(=C2)I