[(2-aminoethyl)sulfanyl]benzene hydrochloride

• ChemBase ID: 310223
• Molecular Formular: C8H12ClNS
• Molecular Mass: 189.70558
• Monoisotopic Mass: 189.03789807
• SMILES: S(c1ccccc1)CCN.Cl
• Canonical SMILES: NCCSc1ccccc1.Cl
• InChI: InChI=1S/C8H11NS.ClH/c9-6-7-10-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H
• InChIKey: ZHXISMXDCUJVCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-aminoethyl)sulfanyl]benzene hydrochloride
• IUPAC Traditional name: [(2-aminoethyl)sulfanyl]benzene hydrochloride
• Synonyms: [2-(phenylthio)ethyl]amine hydrochloride

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4442505
• LogD (pH = 7.4): -0.5143277
• Log P: 1.5447937
• Molar Refractivity: 46.9699 cm^3
• Polarizability: 18.61821 Å^3
• Polar Surface Area: 26.02 Å^2