2-(ethylsulfanyl)-4-fluoroaniline

• ChemBase ID: 247456
• Molecular Formular: C8H10FNS
• Molecular Mass: 171.2351032
• Monoisotopic Mass: 171.05179855
• SMILES: c1(cc(ccc1N)F)SCC
• Canonical SMILES: CCSc1cc(F)ccc1N
• InChI: InChI=1S/C8H10FNS/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2,10H2,1H3
• InChIKey: KUGVIHPTVZRLHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethylsulfanyl)-4-fluoroaniline
• IUPAC Traditional name: 2-(ethylsulfanyl)-4-fluoroaniline
• Synonyms: 2-(ethylsulfanyl)-4-fluoroaniline

Database IDs

• MDL Number: MFCD16744378
• PubChem SID: 164303366
• PubChem CID: 11159584

CALCULATED PROPERTIES

• Log P: 2.168269
• Molar Refractivity: 48.5315 cm^3
• Polarizability: 17.852135 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1665235
• LogD (pH = 7.4): 2.168247

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.443

Product Information

• Purity: 95%