2-amino-1-(thiophen-2-yl)ethan-1-ol

• ChemBase ID: 273981
• Molecular Formular: C6H9NOS
• Molecular Mass: 143.20676
• Monoisotopic Mass: 143.04048491
• SMILES: c1(sccc1)C(O)CN
• Canonical SMILES: NCC(c1cccs1)O
• InChI: InChI=1S/C6H9NOS/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H,4,7H2
• InChIKey: LOULKRKJFMPTJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-(thiophen-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-amino-1-(thiophen-2-yl)ethanol
• Synonyms: 2-amino-1-(thiophen-2-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD04038402
• PubChem SID: 164329891
• PubChem CID: 436152

CALCULATED PROPERTIES

• Acid pKa: 13.706268
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.511348
• LogD (pH = 7.4): -1.1679544
• Log P: 0.38156068
• Molar Refractivity: 37.3838 cm^3
• Polarizability: 14.815076 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81 - 83°C
• Hydrophobicity(logP): -0.079

Product Information

• Purity: 95%