[(5-bromothiophen-3-yl)methyl](methyl)amine

• ChemBase ID: 263483
• Molecular Formular: C6H8BrNS
• Molecular Mass: 206.10342
• Monoisotopic Mass: 204.95608226
• SMILES: c1(scc(c1)CNC)Br
• Canonical SMILES: CNCc1csc(c1)Br
• InChI: InChI=1S/C6H8BrNS/c1-8-3-5-2-6(7)9-4-5/h2,4,8H,3H2,1H3
• InChIKey: UVWDMQNZHCWKDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-bromothiophen-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(5-bromothiophen-3-yl)methyl](methyl)amine
• Synonyms: [(5-bromothiophen-3-yl)methyl](methyl)amine

Database IDs

• MDL Number: MFCD12096200
• PubChem SID: 164319393
• PubChem CID: 43432000

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.82234484
• LogD (pH = 7.4): 0.5958996
• Log P: 2.2467852
• Molar Refractivity: 43.1945 cm^3
• Polarizability: 17.07754 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 57 - 59°C
• Hydrophobicity(logP): 2.061

Product Information

• Purity: 95%