(dimethyl-1,3-thiazol-2-yl)methanamine

• ChemBase ID: 285166
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: n1c(c(sc1CN)C)C
• Canonical SMILES: NCc1sc(c(n1)C)C
• InChI: InChI=1S/C6H10N2S/c1-4-5(2)9-6(3-7)8-4/h3,7H2,1-2H3
• InChIKey: XWWBHCPDGYDNTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dimethyl-1,3-thiazol-2-yl)methanamine
• IUPAC Traditional name: (dimethyl-1,3-thiazol-2-yl)methanamine
• Synonyms: 1-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine; (4,5-dimethyl-1,3-thiazol-2-yl)methanamine

Database IDs

• CAS Number: 89601-18-3
• MDL Number: MFCD09802312
• PubChem SID: 180670697
• PubChem CID: 24261647

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8817022
• LogD (pH = 7.4): -0.19797093
• Log P: 0.6082045
• Molar Refractivity: 38.7146 cm^3
• Polarizability: 14.99286 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.386

Product Information

• Purity: 95%