2-(thiophen-2-yl)propan-2-amine

• ChemBase ID: 276146
• Molecular Formular: C7H11NS
• Molecular Mass: 141.23394
• Monoisotopic Mass: 141.06122036
• SMILES: c1(sccc1)C(N)(C)C
• Canonical SMILES: CC(c1cccs1)(N)C
• InChI: InChI=1S/C7H11NS/c1-7(2,8)6-4-3-5-9-6/h3-5H,8H2,1-2H3
• InChIKey: JYFAHQAWCKSUOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-2-yl)propan-2-amine
• IUPAC Traditional name: 2-(thiophen-2-yl)propan-2-amine
• Synonyms: 2-(thiophen-2-yl)propan-2-amine

Database IDs

• CAS Number: 81289-15-8
• MDL Number: MFCD11581284
• PubChem SID: 164332056
• PubChem CID: 45099

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.268615
• LogD (pH = 7.4): -0.2554156
• Log P: 1.7090473
• Molar Refractivity: 40.4783 cm^3
• Polarizability: 16.02592 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.448

Product Information

• Purity: 95%; 95+%