2-cyclopropyl-1,3-thiazole-4-carbaldehyde

• ChemBase ID: 88456
• Molecular Formular: C7H7NOS
• Molecular Mass: 153.20158
• Monoisotopic Mass: 153.02483485
• SMILES: n1c(C2CC2)scc1C=O
• Canonical SMILES: O=Cc1csc(n1)C1CC1
• InChI: InChI=1S/C7H7NOS/c9-3-6-4-10-7(8-6)5-1-2-5/h3-5H,1-2H2
• InChIKey: KMXDXOWGZAQHTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-1,3-thiazole-4-carbaldehyde
• IUPAC Traditional name: 2-cyclopropyl-1,3-thiazole-4-carbaldehyde
• Synonyms: 2-Cyclopropyl-4-formyl-1,3-thiazole; 2-Cyclopropyl-1,3-thiazole-4-carboxaldehyde; 2-cyclopropyl-1,3-thiazole-4-carbaldehyde

Database IDs

• MDL Number: MFCD12913055
• PubChem SID: 162104593
• PubChem CID: 45791958

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.921914
• LogD (pH = 7.4): 1.9219446
• Log P: 1.921945
• Molar Refractivity: 39.3051 cm^3
• Polarizability: 14.771467 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.353

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold/Store under Argon

Product Information

• Purity: 95%