(1R)-1-(1,3-thiazol-5-yl)ethan-1-amine dihydrochloride

• ChemBase ID: 248110
• Molecular Formular: C5H10Cl2N2S
• Molecular Mass: 201.1173
• Monoisotopic Mass: 199.99417469
• SMILES: c1(scnc1)[C@H](N)C.Cl.Cl
• Canonical SMILES: C[C@H](c1scnc1)N.Cl.Cl
• InChI: InChI=1S/C5H8N2S.2ClH/c1-4(6)5-2-7-3-8-5;;/h2-4H,6H2,1H3;2*1H/t4-;;/m1../s1
• InChIKey: MGBRARVJRDYNOI-RZFWHQLPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(1,3-thiazol-5-yl)ethan-1-amine dihydrochloride
• IUPAC Traditional name: (1R)-1-(1,3-thiazol-5-yl)ethanamine dihydrochloride
• Synonyms: (1R)-1-(1,3-thiazol-5-yl)ethan-1-amine dihydrochloride

Database IDs

• PubChem SID: 164304020
• PubChem CID: 71758389

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4401433
• LogD (pH = 7.4): -0.8791485
• Log P: 0.30682147
• Molar Refractivity: 33.9427 cm^3
• Polarizability: 13.3166685 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): -0.253

Product Information

• Purity: 95%