5-fluoro-1,3-thiazol-2-amine hydrochloride

• ChemBase ID: 97824
• Molecular Formular: C3H4ClFN2S
• Molecular Mass: 154.5936632
• Monoisotopic Mass: 153.97677504
• SMILES: s1c(ncc1F)N.Cl
• Canonical SMILES: Fc1cnc(s1)N.Cl
• InChI: InChI=1S/C3H3FN2S.ClH/c4-2-1-6-3(5)7-2;/h1H,(H2,5,6);1H
• InChIKey: HUXNGTYNEWXYDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-1,3-thiazol-2-amine hydrochloride
• IUPAC Traditional name: 5-fluoro-1,3-thiazol-2-amine hydrochloride
• Synonyms: 5-Fluoro-1,3-thiazol-2-amine hydrochloride; 2-Amino-5-fluoro-1,3-thiazole hydrochloride; 5-Fluorothiazol-2-amine hydrochloride

Database IDs

• CAS Number: 745053-64-9
• MDL Number: MFCD09056854
• PubChem SID: 162084363
• PubChem CID: 11858931

CALCULATED PROPERTIES

• Acid pKa: 16.44355
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7945622
• LogD (pH = 7.4): 0.79604167
• Log P: 0.79606056
• Molar Refractivity: 24.8164 cm^3
• Polarizability: 9.145306 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold

Product Information

• Purity: 95+%