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

• ChemBase ID: 802691
• Molecular Formular: C4H6N2S
• Molecular Mass: 114.16884
• Monoisotopic Mass: 114.0251692
• SMILES: C(N)c1cnsc1
• Canonical SMILES: NCc1csnc1
• InChI: InChI=1S/C4H6N2S/c5-1-4-2-6-7-3-4/h2-3H,1,5H2
• InChIKey: KJVFHXCHZSQFKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,2-thiazol-4-yl)methanamine
• IUPAC Traditional name: 1,2-thiazol-4-ylmethanamine
• Synonyms: 1,2-THIAZOL-4-YLMETHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.744416
• LogD (pH = 7.4): -1.2567667
• Log P: 0.068627715
• Molar Refractivity: 30.4724 cm^3
• Polarizability: 11.49439 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%