4-ethyl-5-methyl-1,3-thiazol-2-amine hydrobromide

• ChemBase ID: 31198
• Molecular Formular: C6H11BrN2S
• Molecular Mass: 223.13394
• Monoisotopic Mass: 221.98263136
• SMILES: n1c(sc(c1CC)C)N.Br
• Canonical SMILES: CCc1nc(sc1C)N.Br
• InChI: InChI=1S/C6H10N2S.BrH/c1-3-5-4(2)9-6(7)8-5;/h3H2,1-2H3,(H2,7,8);1H
• InChIKey: FQIXRKBHLXLGNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-5-methyl-1,3-thiazol-2-amine hydrobromide
• IUPAC Traditional name: 4-ethyl-5-methyl-1,3-thiazol-2-amine hydrobromide
• Synonyms: 4-ethyl-5-methyl-1,3-thiazol-2-amine hydrobromide; 4-Ethyl-5-methyl-thiazol-2-ylamine hydrobromide

Database IDs

• MDL Number: MFCD11506552
• PubChem SID: 160994505
• PubChem CID: 42937515

CALCULATED PROPERTIES

• Acid pKa: 17.89965
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7251891
• LogD (pH = 7.4): 1.9610271
• Log P: 1.9651295
• Molar Refractivity: 39.7148 cm^3
• Polarizability: 14.608982 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162 - 164°C
• Hydrophobicity(logP): 1.706

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%