2-(morpholin-4-yl)-1,3-thiazole-4-carbaldehyde

• ChemBase ID: 76017
• Molecular Formular: C8H10N2O2S
• Molecular Mass: 198.2422
• Monoisotopic Mass: 198.04629857
• SMILES: n1c(N2CCOCC2)scc1C=O
• Canonical SMILES: O=Cc1csc(n1)N1CCOCC1
• InChI: InChI=1S/C8H10N2O2S/c11-5-7-6-13-8(9-7)10-1-3-12-4-2-10/h5-6H,1-4H2
• InChIKey: JPJSUXPYPAQDDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-1,3-thiazole-4-carbaldehyde
• IUPAC Traditional name: 2-(morpholin-4-yl)-1,3-thiazole-4-carbaldehyde
• Synonyms: 2-morpholino-1,3-thiazole-4-carbaldehyde; 4-(4-Formyl-1,3-thiazol-2-yl)morpholine; 2-(Morpholin-4-yl-1,3-thiazole-4-carboxaldehyde 97%; 2-Morpholin-4-yl-1,3-thiazole-4-carboxaldehyde

Database IDs

• CAS Number: 126533-97-9
• MDL Number: MFCD09817537
• PubChem SID: 162040935
• PubChem CID: 15053579

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5928569
• LogD (pH = 7.4): 1.5928771
• Log P: 1.5928775
• Molar Refractivity: 50.4416 cm^3
• Polarizability: 18.575964 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103.5-106.5°C

Safety Information

• Storage Warning: Harmful/Toxic

Product Information

• Purity: 97%