5-(morpholin-4-yl)thiophene-2-carbaldehyde

• ChemBase ID: 35378
• Molecular Formular: C9H11NO2S
• Molecular Mass: 197.25414
• Monoisotopic Mass: 197.0510496
• SMILES: c1(sc(cc1)C=O)N1CCOCC1
• Canonical SMILES: O=Cc1ccc(s1)N1CCOCC1
• InChI: InChI=1S/C9H11NO2S/c11-7-8-1-2-9(13-8)10-3-5-12-6-4-10/h1-2,7H,3-6H2
• InChIKey: MWCGENRKAMIZLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholin-4-yl)thiophene-2-carbaldehyde
• IUPAC Traditional name: 5-(morpholin-4-yl)thiophene-2-carbaldehyde
• Synonyms: 5-morpholinothiophene-2-carbaldehyde; 5-morpholin-4-ylthiophene-2-carbaldehyde; 5-Morpholino-2-thiophenecarbaldehyde; 2-Formyl-5-(morpholin-4-yl)thiophene; 5-(Morpholin-4-yl)thiophene-2-carboxaldehyde 97%; 5-Morpholin-4-yl-thiophene-2-carbaldehyde

Database IDs

• CAS Number: 24372-49-4
• MDL Number: MFCD02710611
• PubChem SID: 160998685
• PubChem CID: 2326306

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.654169
• LogD (pH = 7.4): 1.654169
• Log P: 1.654169
• Molar Refractivity: 52.1949 cm^3
• Polarizability: 19.401854 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100 - 102°C; 125 - 127 °C; 125.5-127.5°C
• Partition Coefficient: 1.192
• Hydrophobicity(logP): 1.472

Safety Information

• Storage Warning: Harmful/Toxic; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 95+%; 97%