methyl 4-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate

Base Information

• Chemical Name: methyl 4-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate
• CAS No.: 175201-79-3
• Molecular Formula: C13H15 N O4 S2
• Molecular Weight: 313.39
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00384817
• Wikidata: Q82177189
• Mol file: 175201-79-3.mol

Synonyms:175201-79-3;methyl 4-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate;methyl 4-propan-2-ylsulfonyl-3-pyrrol-1-ylthiophene-2-carboxylate;2-Thiophenecarboxylic acid, 4-[(1-methylethyl)sulfonyl]-3-(1H-pyrrol-1-yl)-, methyl ester;HMS1440H16;Maybridge3_003338;DTXSID00384817;CRWUDNGHPDMEES-UHFFFAOYSA-N;CCG-251903;IDI1_014725;methyl 4-(propane-2-sulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate

Chemical Property of methyl 4-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)thiophene-2-carboxylate

Chemical Property:

• Boiling Point: 518.9±50.0 °C(Predicted)
• PKA: -5.92±0.70(Predicted)
• PSA: 101.99000
• Density: 1.35±0.1 g/cm3(Predicted)
• LogP: 3.58830
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 313.04425031
• Heavy Atom Count: 20
• Complexity: 452

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(=C1N2C=CC=C2)C(=O)OC