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

Base Information

• Chemical Name: Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate
• CAS No.: 175202-72-9
• Molecular Formula: C11H17 N O4 S3
• Molecular Weight: 323.45200
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50381154
• Wikidata: Q82171808
• Mol file: 175202-72-9.mol

Synonyms:175202-72-9;Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate;ethyl 3-amino-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate;ethyl 3-amino-5-(methylsulfanyl)-4-(propane-2-sulfonyl)thiophene-2-carboxylate;2-Thiophenecarboxylic acid, 3-amino-4-[(1-methylethyl)sulfonyl]-5-(methylthio)-, ethyl ester;HMS555K03;Maybridge1_004975;DTXSID50381154;RUTILLJYJHVEPU-UHFFFAOYSA-N;MFCD00085052;AKOS015908552;CCG-238770;MS-22082;FT-0626016;A811847;W-206180;Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2carboxylate;2-Thiophenecarboxylicacid,3-amino-4-[(1-methylethyl)sulfonyl]-5-(methylthio)-,ethyl ester

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

Chemical Property:

• Vapor Pressure: 1.19E-11mmHg at 25°C
• Melting Point: 143oC
• Boiling Point: 538.2oC at 760 mmHg
• Flash Point: 279.3oC
• PSA: 148.38000
• Density: 1.37g/cm3
• LogP: 4.07300
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 323.03197154
• Heavy Atom Count: 19
• Complexity: 418

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 3-amino-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylate 97% ^*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: CCOC(=O)C1=C(C(=C(S1)SC)S(=O)(=O)C(C)C)N