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

• ChemBase ID: 269677
• Molecular Formular: C6H10ClNS
• Molecular Mass: 163.6683
• Monoisotopic Mass: 163.02224801
• SMILES: c1(sccc1)[C@@H](N)C.Cl
• Canonical SMILES: C[C@@H](c1cccs1)N.Cl
• InChI: InChI=1S/C6H9NS.ClH/c1-5(7)6-3-2-4-8-6;/h2-5H,7H2,1H3;1H/t5-;/m0./s1
• InChIKey: CMCVTULVSCSWOB-JEDNCBNOSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12910713
• PubChem SID: 164325587
• PubChem CID: 50988049

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%