(4-ethyl-1,3-thiazol-2-yl)methanamine

• ChemBase ID: 307242
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: n1c(scc1CC)CN
• Canonical SMILES: CCc1csc(n1)CN
• InChI: InChI=1S/C6H10N2S/c1-2-5-4-9-6(3-7)8-5/h4H,2-3,7H2,1H3
• InChIKey: SQRZCRXLKZMSIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethyl-1,3-thiazol-2-yl)methanamine
• IUPAC Traditional name: (4-ethyl-1,3-thiazol-2-yl)methanamine
• Synonyms: 1-(4-ethyl-1,3-thiazol-2-yl)methanamine

Database IDs

• CAS Number: 936940-69-1
• MDL Number: MFCD09891357

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7258891
• LogD (pH = 7.4): -0.03181168
• Log P: 0.6628795
• Molar Refractivity: 38.2852 cm^3
• Polarizability: 15.071529 Å^3
• Polar Surface Area: 38.91 Å^2