4-(thiophene-2-carbonyl)aniline

• ChemBase ID: 55943
• Molecular Formular: C11H9NOS
• Molecular Mass: 203.26026
• Monoisotopic Mass: 203.04048491
• SMILES: c1(C(=O)c2ccc(N)cc2)sccc1
• Canonical SMILES: Nc1ccc(cc1)C(=O)c1cccs1
• InChI: InChI=1S/C11H9NOS/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7H,12H2
• InChIKey: SZVBEQYGAAQDTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(thiophene-2-carbonyl)aniline
• IUPAC Traditional name: 4-(thiophene-2-carbonyl)aniline
• Synonyms: (4-Aminophenyl)(2-thienyl)methanone

Database IDs

• MDL Number: MFCD03368394
• PubChem SID: 162060706
• PubChem CID: 459408

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.515669
• LogD (pH = 7.4): 2.5165431
• Log P: 2.5165544
• Molar Refractivity: 58.2238 cm^3
• Polarizability: 21.779438 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false