4-(N-methylanilino)thiophene-3-carboxylic acid

Base Information

• Chemical Name: 4-(N-methylanilino)thiophene-3-carboxylic acid
• CAS No.: 107947-00-2
• Molecular Formula: C12H11 N O2 S
• Molecular Weight: 233.29
• DSSTox Substance ID: DTXSID40148334
• Nikkaji Number: J541.641H
• Wikidata: Q83013850
• Mol file: 107947-00-2.mol

Synonyms:4-N-methyl-N-phenylaminothiophene-3-carboxylic acid;MPTC-4N3

Chemical Property of 4-(N-methylanilino)thiophene-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 4.07E-07mmHg at 25°C
• Boiling Point: 400°Cat760mmHg
• PKA: 4.73±0.50(Predicted)
• Flash Point: 195.7°C
• PSA: 68.78000
• Density: 1.325g/cm³
• LogP: 3.21420
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 233.05104977
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=CC=CC=C1)C2=CSC=C2C(=O)O

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