5-Ethyl-4-methylthiophene-2-carboxylic acid

Base Information

• Chemical Name: 5-Ethyl-4-methylthiophene-2-carboxylic acid
• CAS No.: 40808-25-1
• Molecular Formula: C8H10O2S
• Molecular Weight: 170.23
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90397375
• Wikidata: Q82198660
• Mol file: 40808-25-1.mol

Synonyms:5-ethyl-4-methylthiophene-2-carboxylic acid;40808-25-1;5-Ethyl-4-methyl-thiophene-2-carboxylic acid;5-Ethyl-4-methylthiophene-2-carboxylicacid;DTXSID90397375;HMS1697M01;MFCD06654975;AKOS000303343;CS-0452343;EN300-07617;Z90123545

Chemical Property of 5-Ethyl-4-methylthiophene-2-carboxylic acid

Chemical Property:

• Boiling Point: 298.8±28.0 °C(Predicted)
• PKA: 3.94±0.10(Predicted)
• PSA: 65.54000
• Density: 1.211±0.06 g/cm3(Predicted)
• LogP: 2.31710
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 170.04015073
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

98%min ^*data from raw suppliers

5-Ethyl-4-methyl-thiophene-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C=C(S1)C(=O)O)C