N-methoxy-N-methylthiophene-2-carboxamide

• ChemBase ID: 44121
• Molecular Formular: C7H9NO2S
• Molecular Mass: 171.21686
• Monoisotopic Mass: 171.03539953
• SMILES: C(=O)(c1sccc1)N(OC)C
• Canonical SMILES: CON(C(=O)c1cccs1)C
• InChI: InChI=1S/C7H9NO2S/c1-8(10-2)7(9)6-4-3-5-11-6/h3-5H,1-2H3
• InChIKey: DGMGILGPRYQSOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N-methylthiophene-2-carboxamide
• IUPAC Traditional name: N-methoxy-N-methylthiophene-2-carboxamide
• Synonyms: N-Methoxy-N-methyl-2-thiophenecarboxamide; 2-[Methoxy(methyl)carbamoyl]thiophene; N-Methoxy-N-methylthiophene-2-carboxamide

Database IDs

• CAS Number: 229970-94-9
• MDL Number: MFCD03643923
• PubChem SID: 162048884
• PubChem CID: 3613942

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3352226
• LogD (pH = 7.4): 1.3352226
• Log P: 1.3352226
• Molar Refractivity: 43.1699 cm^3
• Polarizability: 16.276613 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%; 98%