1-(thiophen-3-yl)ethan-1-amine

• ChemBase ID: 266948
• Molecular Formular: C6H9NS
• Molecular Mass: 127.20736
• Monoisotopic Mass: 127.04557029
• SMILES: c1(cscc1)C(N)C
• Canonical SMILES: CC(c1cscc1)N
• InChI: InChI=1S/C6H9NS/c1-5(7)6-2-3-8-4-6/h2-5H,7H2,1H3
• InChIKey: KXCGQPCMPZULFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-3-yl)ethan-1-amine
• IUPAC Traditional name: 1-(thiophen-3-yl)ethanamine
• Synonyms: 1-(thiophen-3-yl)ethan-1-amine; 1-(3-thienyl)ethanamine

Database IDs

• CAS Number: 118488-08-7
• MDL Number: MFCD08452688
• PubChem SID: 164322858
• PubChem CID: 14249915

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6776571
• LogD (pH = 7.4): -0.6392926
• Log P: 1.2960312
• Molar Refractivity: 36.056 cm^3
• Polarizability: 14.180137 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.049

Product Information

• Purity: 95%