(1S)-1-(thiophen-2-yl)ethan-1-amine

• ChemBase ID: 281806
• Molecular Formular: C6H9NS
• Molecular Mass: 127.20736
• Monoisotopic Mass: 127.04557029
• SMILES: c1(sccc1)[C@@H](N)C
• Canonical SMILES: C[C@@H](c1cccs1)N
• InChI: InChI=1S/C6H9NS/c1-5(7)6-3-2-4-8-6/h2-5H,7H2,1H3/t5-/m0/s1
• InChIKey: LYJBVRVJQXVVPI-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-(thiophen-2-yl)ethan-1-amine
• IUPAC Traditional name: (1S)-1-(thiophen-2-yl)ethanamine
• Synonyms: (1S)-1-(thiophen-2-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD09822151
• PubChem SID: 180667337
• PubChem CID: 6546851

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5132864
• LogD (pH = 7.4): -0.31940392
• Log P: 1.4284706
• Molar Refractivity: 35.8401 cm^3
• Polarizability: 14.183015 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%