N-ethylthiophen-2-amine

• ChemBase ID: 797069
• Molecular Formular: C6H9NS
• Molecular Mass: 127.20736
• Monoisotopic Mass: 127.04557029
• SMILES: s1c(ccc1)NCC
• Canonical SMILES: CCNc1cccs1
• InChI: InChI=1S/C6H9NS/c1-2-7-6-4-3-5-8-6/h3-5,7H,2H2,1H3
• InChIKey: BYGZVEKTHREAGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylthiophen-2-amine
• IUPAC Traditional name: N-ethylthiophen-2-amine
• Synonyms: N-Ethylthiophen-2-aMine

Database IDs

• CAS Number: 203730-54-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7492698
• LogD (pH = 7.4): 1.7492698
• Log P: 1.7492698
• Molar Refractivity: 37.2661 cm^3
• Polarizability: 13.791022 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%