3-Amino-4-(isopropylsulfonyl)thiophene-2-carboxylic acid

Base Information

• Chemical Name: 3-Amino-4-(isopropylsulfonyl)thiophene-2-carboxylic acid
• CAS No.: 175201-89-5
• Molecular Formula: C8H11NO4S2
• Molecular Weight: 249.31
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60381029
• Wikidata: Q82171596
• Mol file: 175201-89-5.mol

Synonyms:175201-89-5;3-Amino-4-(isopropylsulfonyl)thiophene-2-carboxylic acid;3-amino-4-propan-2-ylsulfonylthiophene-2-carboxylic acid;3-amino-4-(isopropylsulphonyl)thiophene-2-carboxylic acid;3-amino-4-(propane-2-sulfonyl)thiophene-2-carboxylic acid;2-Thiophenecarboxylic acid, 3-amino-4-[(1-methylethyl)sulfonyl]-;Maybridge1_004642;HMS554K22;Oprea1_027726;SCHEMBL21119053;DTXSID60381029;SZJXLQQZOLCMMN-UHFFFAOYSA-N;3-AMINO-4-(ISOPROPYLSULFONYL)THIOPHENE-2-CARBOXYLICACID;MFCD00067949;AKOS015908582;AS-9283;CCG-249773;CS-0328522;FT-0614953;A811822;W-206151;3-Amino-4-(ipropylsulfonyl)thiophene-2-carboxylic acid;3-Amino-4-(ispropylsulfonyl)thiophene-2-carboxylic acid;3-AMINO-4-(ISOPROPYLSULFONYL)-THIOPHENE-2-CARBOXYLIC ACID;3-amino-4-(isopropylsulfonyl)thiophene-2-carboxylic acid, AldrichCPR

Chemical Property of 3-Amino-4-(isopropylsulfonyl)thiophene-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.04E-12mmHg at 25°C
• Boiling Point: 538.2°Cat760mmHg
• Flash Point: 279.3°C
• PSA: 134.08000
• Density: 1.476g/cm³
• LogP: 2.87260
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 249.01295018
• Heavy Atom Count: 15
• Complexity: 346

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-4-(isopropylsulfonyl)thiophene-2-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)S(=O)(=O)C1=CSC(=C1N)C(=O)O