4-(ethylsulfanyl)aniline

• ChemBase ID: 308079
• Molecular Formular: C8H11NS
• Molecular Mass: 153.24464
• Monoisotopic Mass: 153.06122036
• SMILES: c1(SCC)ccc(N)cc1
• Canonical SMILES: CCSc1ccc(cc1)N
• InChI: InChI=1S/C8H11NS/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3
• InChIKey: YGALCOBBSXYFLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(ethylsulfanyl)aniline
• IUPAC Traditional name: 4-(ethylsulfanyl)aniline
• Synonyms: 4-(ethylthio)aniline

Database IDs

• CAS Number: 3463-02-3
• MDL Number: MFCD00040310

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9790426
• LogD (pH = 7.4): 2.0249488
• Log P: 2.025567
• Molar Refractivity: 48.3151 cm^3
• Polarizability: 18.211748 Å^3
• Polar Surface Area: 26.02 Å^2