2,5-Dimethyl-4-(N-(thiophen-2-ylmethyl)sulfamoyl)furan-3-carboxylic acid

Base Information

• Chemical Name: 2,5-Dimethyl-4-(N-(thiophen-2-ylmethyl)sulfamoyl)furan-3-carboxylic acid
• CAS No.: 306936-40-3
• Molecular Formula: C12H13NO5S2
• Molecular Weight: 315.37
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID201150402
• ChEMBL ID: CHEMBL1525254
• Mol file: 306936-40-3.mol

Synonyms:2,5-Dimethyl-4-(N-(thiophen-2-ylmethyl)sulfamoyl)furan-3-carboxylic acid;2,5-Dimethyl-4-[(2-thienylmethyl)amino]sulfonyl]-3-furoic acid;Maybridge1_008466;MLS000850978;CHEMBL1525254;HMS565I18;DTXSID201150402;HMS2786E24;2,5-dimethyl-4-(2-thienylmethylsulfamoyl)furan-3-carboxylic acid;CCG-43258;MFCD02180782;AKOS009096472;2,5-DIMETHYL-4-[[(2-THIENYLMETHYL)AMINO]SULFONYL]-3-FURANCARBOXYLIC ACID;SMR000456995;FT-0610445;A820543;SR-01000633193-1;2,5-dimethyl-4-{[(2-thienylmethyl)amino]sulfonyl}-3-furoic acid;2,5-dimethyl-4-{[(thiophen-2-yl)methyl]sulfamoyl}furan-3-carboxylic acid

Chemical Property of 2,5-Dimethyl-4-(N-(thiophen-2-ylmethyl)sulfamoyl)furan-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.42E-11mmHg at 25°C
• Melting Point: 167 °C
• Refractive Index: 1.601
• Boiling Point: 518.4 °C at 760 mmHg
• PKA: 3.91±0.46(Predicted)
• Flash Point: 267.3 °C
• PSA: 133.23000
• Density: 1.446 g/cm³
• LogP: 3.60630
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 315.02351486
• Heavy Atom Count: 20
• Complexity: 461

Purity/Quality:

98%min ^*data from raw suppliers

2,5-Dimethyl-4-(N-(thiophen-2-ylmethyl)sulfamoyl)furan-3-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(O1)C)S(=O)(=O)NCC2=CC=CS2)C(=O)O