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

• ChemBase ID: 89638
• Molecular Formular: C6H8BrNS
• Molecular Mass: 206.10342
• Monoisotopic Mass: 204.95608226
• SMILES: s1c(c(cc1)CNC)Br
• Canonical SMILES: CNCc1ccsc1Br
• InChI: InChI=1S/C6H8BrNS/c1-8-4-5-2-3-9-6(5)7/h2-3,8H,4H2,1H3
• InChIKey: FOIBDCULRFTGJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-bromothiophen-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(2-bromothiophen-3-yl)methyl](methyl)amine
• Synonyms: N-methyl-(2-bromothien-3-yl)methylamine; N-Methyl-(2-bromothien-3-yl)methylamine; 2-Bromo-3-[methyl(aminomethyl)]thiophene 97%

Database IDs

• CAS Number: 331766-69-9
• MDL Number: MFCD09064982
• PubChem SID: 162076501
• PubChem CID: 24229571

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.52692515
• LogD (pH = 7.4): 1.1592584
• Log P: 2.2467852
• Molar Refractivity: 43.1945 cm^3
• Polarizability: 17.078352 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%