2-amino-2-(thiophen-3-yl)acetic acid hydrochloride

• ChemBase ID: 813191
• Molecular Formular: C6H8ClNO2S
• Molecular Mass: 193.65122
• Monoisotopic Mass: 192.99642718
• SMILES: Cl.C(C(=O)O)(c1cscc1)N
• Canonical SMILES: OC(=O)C(c1cscc1)N.Cl
• InChI: InChI=1S/C6H7NO2S.ClH/c7-5(6(8)9)4-1-2-10-3-4;/h1-3,5H,7H2,(H,8,9);1H
• InChIKey: XDOJUXYYROKWDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-(thiophen-3-yl)acetic acid hydrochloride
• IUPAC Traditional name: amino(thiophen-3-yl)acetic acid hydrochloride
• Synonyms: AMINO-THIOPHEN-3-YL-ACETIC ACID HYDROCHLORIDE

Database IDs

• CAS Number: 369403-64-5

CALCULATED PROPERTIES

• Acid pKa: 2.33612
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6888837
• LogD (pH = 7.4): -1.7182349
• Log P: -1.6891506
• Molar Refractivity: 37.4671 cm^3
• Polarizability: 14.764615 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%