Methyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate
• CAS No.: 175202-07-0
• Molecular Formula: C10H15 N O4 S3
• Molecular Weight: 309.42500
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50381058
• Wikidata: Q82171657
• ChEMBL ID: CHEMBL1707555
• Mol file: 175202-07-0.mol

Synonyms:175202-07-0;methyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate;methyl 3-amino-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate;methyl 3-amino-5-(methylsulfanyl)-4-(propane-2-sulfonyl)thiophene-2-carboxylate;2-Thiophenecarboxylic acid, 3-amino-4-[(1-methylethyl)sulfonyl]-5-(methylthio)-, methyl ester;methyl 3-amino-4-(isopropylsulphonyl)-5-(methylthio)thiophene-2-carboxylate;HMS554D09;Maybridge1_004475;MLS000859219;CHEMBL1707555;DTXSID50381058;MAKNYIHVISBSOW-UHFFFAOYSA-N;HMS2784P19;MFCD00067980;AKOS015908455;AS-9152;CCG-252489;SMR000459398;4-N-BUTYLPYRIDINE-2-CARBOXYLICACID;CS-0324169;FT-0628527;A811826;Methyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene- 2-carboxylate;Methyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2carboxylate;2-Thiophenecarboxylicacid,3-amino-4-[(1-methylethyl)sulfonyl]-5-(methylthio)-,methyl ester;3-amino-5-(methylthio)-4-propan-2-ylsulfonyl-2-thiophenecarboxylic acid methyl ester

Chemical Property of Methyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 1.99E-11mmHg at 25°C
• Melting Point: 151oC
• Boiling Point: 532.7oC at 760 mmHg
• Flash Point: 276oC
• PSA: 148.38000
• Density: 1.41g/cm3
• LogP: 3.68290
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 309.01632148
• Heavy Atom Count: 18
• Complexity: 404

Purity/Quality:

97% ^*data from raw suppliers

Methyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

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