Methyl 3-amino-4-(phenylsulfonyl)thiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 3-amino-4-(phenylsulfonyl)thiophene-2-carboxylate
• CAS No.: 175201-55-5
• Molecular Formula: C12H11 N O4 S2
• Molecular Weight: 297.35000
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50380980
• Nikkaji Number: J1.176.268I
• Wikidata: Q82171511
• ChEMBL ID: CHEMBL1361993
• Mol file: 175201-55-5.mol

Synonyms:175201-55-5;methyl 3-amino-4-(phenylsulfonyl)thiophene-2-carboxylate;methyl 3-amino-4-(benzenesulfonyl)thiophene-2-carboxylate;methyl 3-amino-4-(phenylsulfonyl)-2-thiophenecarboxylate;Methyl 3-amino-4-(phenylsulphonyl)thiophene-2-carboxylate;Maybridge1_004456;MLS000763401;CHEMBL1361993;HMS554C12;DTXSID50380980;RMDFXHNYCGZJPT-UHFFFAOYSA-N;HMS2728A20;MFCD00067908;STL200434;AKOS005102515;CCG-251874;SMR000336261;CS-0318424;FT-0628530;8T-0813;A924742;W-206136;3-Amino-4-(phenylsulfonyl)thiophene-2-carboxylic acid methyl ester

Chemical Property of Methyl 3-amino-4-(phenylsulfonyl)thiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 7.04E-12mmHg at 25°C
• Boiling Point: 543.6oC at 760 mmHg
• Flash Point: 282.6oC
• PSA: 123.08000
• Density: 1.433g/cm3
• LogP: 3.61170
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 297.01295018
• Heavy Atom Count: 19
• Complexity: 426

Purity/Quality:

98% ^*data from raw suppliers

Methyl3-Amino-4-(phenylsulfonyl)thiophene-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=CS1)S(=O)(=O)C2=CC=CC=C2)N