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

• ChemBase ID: 87383
• Molecular Formular: C10H13NO2S
• Molecular Mass: 211.28072
• Monoisotopic Mass: 211.06669966
• SMILES: s1c(ccc1C=O)CN1CCOCC1
• Canonical SMILES: O=Cc1ccc(s1)CN1CCOCC1
• InChI: InChI=1S/C10H13NO2S/c12-8-10-2-1-9(14-10)7-11-3-5-13-6-4-11/h1-2,8H,3-7H2
• InChIKey: YPXGCMYNDMFOHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholin-4-ylmethyl)thiophene-2-carbaldehyde
• IUPAC Traditional name: 5-(morpholin-4-ylmethyl)thiophene-2-carbaldehyde
• Synonyms: 2-Formyl-5-(morpholin-4-ylmethyl)thiophene; 5-(Morpholin-4-ylmethyl)thiophene-2-carboxaldehyde 97%; 5-(morpholinomethyl)thiophene-2-carbaldehyde

Database IDs

• CAS Number: 893744-01-9
• MDL Number: MFCD06803315
• PubChem SID: 162074486
• PubChem CID: 20098933

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.138508
• LogD (pH = 7.4): 1.4481654
• Log P: 1.4539653
• Molar Refractivity: 56.9332 cm^3
• Polarizability: 21.609423 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 90-92°C

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%