(dimethyl-1,3-thiazol-4-yl)methanamine

• ChemBase ID: 243950
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: n1c(c(sc1C)C)CN
• Canonical SMILES: NCc1nc(sc1C)C
• InChI: InChI=1S/C6H10N2S/c1-4-6(3-7)8-5(2)9-4/h3,7H2,1-2H3
• InChIKey: QVLQAPIXNSQONU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22628410
• PubChem SID: 164299860
• PubChem CID: 69279054

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9938301
• LogD (pH = 7.4): -0.3418267
• Log P: 0.6082045
• Molar Refractivity: 38.7146 cm^3
• Polarizability: 14.992731 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%