(5-bromothiophen-3-yl)methanamine hydrochloride

• ChemBase ID: 265343
• Molecular Formular: C5H7BrClNS
• Molecular Mass: 228.53778
• Monoisotopic Mass: 226.91710991
• SMILES: c1(scc(c1)CN)Br.Cl
• Canonical SMILES: NCc1csc(c1)Br.Cl
• InChI: InChI=1S/C5H6BrNS.ClH/c6-5-1-4(2-7)3-8-5;/h1,3H,2,7H2;1H
• InChIKey: ZNHNXZSORZTCJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-bromothiophen-3-yl)methanamine hydrochloride
• IUPAC Traditional name: (5-bromothiophen-3-yl)methanamine hydrochloride
• Synonyms: (5-bromothiophen-3-yl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD14705734
• PubChem SID: 164321253
• PubChem CID: 47002381

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0967414
• LogD (pH = 7.4): 0.19953929
• Log P: 1.8142048
• Molar Refractivity: 38.4199 cm^3
• Polarizability: 15.274676 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): 1.645

Product Information

• Purity: 95%