5-chloro-2-(ethylsulfanyl)aniline

• ChemBase ID: 270750
• Molecular Formular: C8H10ClNS
• Molecular Mass: 187.6897
• Monoisotopic Mass: 187.02224801
• SMILES: c1(cc(ccc1SCC)Cl)N
• Canonical SMILES: CCSc1ccc(cc1N)Cl
• InChI: InChI=1S/C8H10ClNS/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5H,2,10H2,1H3
• InChIKey: VRTHJICYHPFIKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-(ethylsulfanyl)aniline
• IUPAC Traditional name: 5-chloro-2-(ethylsulfanyl)aniline
• Synonyms: 5-chloro-2-(ethylsulfanyl)aniline

Database IDs

• MDL Number: MFCD05259370
• PubChem SID: 164326660
• PubChem CID: 1504683

CALCULATED PROPERTIES

• Log P: 2.6296117
• Molar Refractivity: 53.1199 cm^3
• Polarizability: 20.055223 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): 2.6289115
• LogD (pH = 7.4): 2.629603

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.013

Product Information

• Purity: 95%