N,4,5-trimethyl-1,3-thiazol-2-amine hydrobromide

• ChemBase ID: 54667
• Molecular Formular: C6H11BrN2S
• Molecular Mass: 223.13394
• Monoisotopic Mass: 221.98263136
• SMILES: n1c(sc(c1C)C)NC.Br
• Canonical SMILES: CNc1sc(c(n1)C)C.Br
• InChI: InChI=1S/C6H10N2S.BrH/c1-4-5(2)9-6(7-3)8-4;/h1-3H3,(H,7,8);1H
• InChIKey: DOJYYLGALCQFRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4,5-trimethyl-1,3-thiazol-2-amine hydrobromide
• IUPAC Traditional name: N,4,5-trimethyl-1,3-thiazol-2-amine hydrobromide
• Synonyms: N,4,5-Trimethyl-1,3-thiazol-2-amine hydrobromide

Database IDs

• MDL Number: MFCD18651784
• PubChem SID: 162059430
• PubChem CID: 53396414

CALCULATED PROPERTIES

• Acid pKa: 17.93996
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5365885
• LogD (pH = 7.4): 1.56591
• Log P: 1.5662977
• Molar Refractivity: 40.5813 cm^3
• Polarizability: 14.609133 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 268 - 270 °C; 268-270°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%