1-benzothiophen-7-amine hydrochloride

• ChemBase ID: 242193
• Molecular Formular: C8H8ClNS
• Molecular Mass: 185.67382
• Monoisotopic Mass: 185.00659794
• SMILES: c12sccc1cccc2N.Cl
• Canonical SMILES: Nc1cccc2c1scc2.Cl
• InChI: InChI=1S/C8H7NS.ClH/c9-7-3-1-2-6-4-5-10-8(6)7;/h1-5H,9H2;1H
• InChIKey: OFOPBAAEGYFZKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzothiophen-7-amine hydrochloride
• IUPAC Traditional name: 1-benzothiophen-7-amine hydrochloride
• Synonyms: 1-benzothiophen-7-amine hydrochloride

Database IDs

• MDL Number: MFCD22565994
• PubChem SID: 164298103
• PubChem CID: 71756956

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0198681
• LogD (pH = 7.4): 2.0203388
• Log P: 2.0203447
• Molar Refractivity: 44.0985 cm^3
• Polarizability: 17.66124 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 239 - 241°C
• Hydrophobicity(logP): 2.095

Product Information

• Purity: 95%