2-Acetamido-4,5-dimethylthiophene-3-carboxylic acid

Base Information

• Chemical Name: 2-Acetamido-4,5-dimethylthiophene-3-carboxylic acid
• CAS No.: 13130-40-0
• Molecular Formula: C₉H₁₁NO₃S
• Molecular Weight: 213.257
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70355377
• Wikidata: Q82134237
• Mol file: 13130-40-0.mol

Synonyms:13130-40-0;2-acetamido-4,5-dimethylthiophene-3-carboxylic acid;2-Acetylamino-4,5-dimethyl-thiophene-3-carboxylic acid;2-(acetylamino)-4,5-dimethylthiophene-3-carboxylic acid;3-Thiophenecarboxylic acid, 2-(acetylamino)-4,5-dimethyl-;BAS 02226731;Enamine_004988;Oprea1_412158;Oprea1_791032;SCHEMBL21612947;DTXSID70355377;HMS1408C16;MFCD00267631;STK394317;AKOS000121630;IDI1_007575;CS-0218426;EN300-00926;SR-01000312716;2-acetamido-4,5-dimethylthiophene-3-carboxylicacid;SR-01000312716-1;Z55175764;F3027-0737;2-(acetylamino)-4,5-dimethylthiophene-3-carboxylic acid, AldrichCPR

Chemical Property of 2-Acetamido-4,5-dimethylthiophene-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.41E-07mmHg at 25°C
• Melting Point: 205-206 °C
• Boiling Point: 413.5 °C at 760 mmHg
• PKA: 4.53±0.50(Predicted)
• Flash Point: 203.9 °C
• PSA: 94.64000
• Density: 1.357g/cm³
• LogP: 2.09450
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 213.04596439
• Heavy Atom Count: 14
• Complexity: 256

Purity/Quality:

98%min ^*data from raw suppliers

2-Acetamido-4,5-dimethylthiophene-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=C1C(=O)O)NC(=O)C)C