2-(2-methyl-1,3-thiazol-4-yl)ethan-1-amine

• ChemBase ID: 24522
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: n1c(scc1CCN)C
• Canonical SMILES: Cc1nc(cs1)CCN
• InChI: InChI=1S/C6H10N2S/c1-5-8-6(2-3-7)4-9-5/h4H,2-3,7H2,1H3
• InChIKey: GLEZGSKBHYTSAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methyl-1,3-thiazol-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-methyl-1,3-thiazol-4-yl)ethanamine
• Synonyms: 2-(2-methyl-1,3-thiazol-4-yl)ethylamine; 2-(2-Methyl-1,3-thiazol-4-yl)ethanamine

Database IDs

• CAS Number: 165115-15-1
• MDL Number: MFCD03011601
• PubChem SID: 160987829
• PubChem CID: 7536518

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7924285
• LogD (pH = 7.4): -1.8764048
• Log P: 0.19935639
• Molar Refractivity: 38.3577 cm^3
• Polarizability: 14.991404 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.276

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%