4-(Isopropylsulfonyl)thiophene-2-carboxylic acid

Base Information

• Chemical Name: 4-(Isopropylsulfonyl)thiophene-2-carboxylic acid
• CAS No.: 175202-46-7
• Molecular Formula: C8H10 O4 S2
• Molecular Weight: 234.29
• DSSTox Substance ID: DTXSID50384847
• Wikidata: Q82177235
• Mol file: 175202-46-7.mol

Synonyms:175202-46-7;4-(isopropylsulfonyl)thiophene-2-carboxylic acid;4-propan-2-ylsulfonylthiophene-2-carboxylic Acid;2-Thiophenecarboxylic acid, 4-[(1-methylethyl)sulfonyl]-;DTXSID50384847;HMS1665K14;CCG-240447;4-(isopropylsulfonyl)thiophene-2-carboxylicacid;SR-01000003813;SR-01000003813-1

Chemical Property of 4-(Isopropylsulfonyl)thiophene-2-carboxylic acid

Chemical Property:

• PSA: 108.06000
• LogP: 2.70920
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 234.00205114
• Heavy Atom Count: 14
• Complexity: 315

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)S(=O)(=O)C1=CSC(=C1)C(=O)O

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