(5-bromothiophen-3-yl)methanamine

• ChemBase ID: 257312
• Molecular Formular: C5H6BrNS
• Molecular Mass: 192.07684
• Monoisotopic Mass: 190.9404322
• SMILES: c1(scc(c1)CN)Br
• Canonical SMILES: NCc1csc(c1)Br
• InChI: InChI=1S/C5H6BrNS/c6-5-1-4(2-7)3-8-5/h1,3H,2,7H2
• InChIKey: UFUFMUBLBXBJGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11505387
• PubChem SID: 164313222
• PubChem CID: 23533436

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

• Hydrophobicity(logP): 1.645

Product Information

• Purity: 95%