thiophen-2-amine hydrobromide

• ChemBase ID: 292977
• Molecular Formular: C4H6BrNS
• Molecular Mass: 180.06614
• Monoisotopic Mass: 178.9404322
• SMILES: Br.Nc1cccs1
• Canonical SMILES: Nc1cccs1.Br
• InChI: InChI=1S/C4H5NS.BrH/c5-4-2-1-3-6-4;/h1-3H,5H2;1H
• InChIKey: GGLBGADKIDCTPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiophen-2-amine hydrobromide
• IUPAC Traditional name: thiophen-2-amine hydrobromide
• Synonyms: Thiophen-2-amine hydrobromide

Database IDs

• CAS Number: 63806-72-4
• PubChem SID: 180678508
• PubChem CID: 12330504

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.0907577
• LogD (pH = 7.4): 1.0907577
• Log P: 1.0907577
• Molar Refractivity: 27.0241 cm^3
• Polarizability: 10.116028 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1

PROPERTIES

Product Information

• Purity: 95+%