5-tert-butylthiophen-2-amine

• ChemBase ID: 801582
• Molecular Formular: C8H13NS
• Molecular Mass: 155.26052
• Monoisotopic Mass: 155.07687042
• SMILES: s1c(ccc1C(C)(C)C)N
• Canonical SMILES: CC(c1ccc(s1)N)(C)C
• InChI: InChI=1S/C8H13NS/c1-8(2,3)6-4-5-7(9)10-6/h4-5H,9H2,1-3H3
• InChIKey: COEGWUNUGDLLMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-tert-butylthiophen-2-amine
• IUPAC Traditional name: 5-tert-butylthiophen-2-amine
• Synonyms: 2-AMINO-5-(TERT-BUTYL)THIOPHENE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7682536
• LogD (pH = 7.4): 2.7682536
• Log P: 2.7682536
• Molar Refractivity: 45.4741 cm^3
• Polarizability: 17.392677 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%