{2-[(4-chlorophenyl)sulfanyl]ethyl}(2-methoxyethyl)amine

• ChemBase ID: 311852
• Molecular Formular: C11H16ClNOS
• Molecular Mass: 245.76884
• Monoisotopic Mass: 245.06411282
• SMILES: c1(SCCNCCOC)ccc(Cl)cc1
• Canonical SMILES: COCCNCCSc1ccc(cc1)Cl
• InChI: InChI=1S/C11H16ClNOS/c1-14-8-6-13-7-9-15-11-4-2-10(12)3-5-11/h2-5,13H,6-9H2,1H3
• InChIKey: VMGANARCKAZUFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(4-chlorophenyl)sulfanyl]ethyl}(2-methoxyethyl)amine
• IUPAC Traditional name: {2-[(4-chlorophenyl)sulfanyl]ethyl}(2-methoxyethyl)amine
• Synonyms: 2-[(4-chlorophenyl)thio]-N-(2-methoxyethyl)ethanamine

Database IDs

• CAS Number: 434309-05-4
• MDL Number: MFCD03709010

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5112248
• LogD (pH = 7.4): 0.9482281
• Log P: 2.5344434
• Molar Refractivity: 67.5928 cm^3
• Polarizability: 26.65689 Å^3
• Polar Surface Area: 21.26 Å^2