dimethyl-1,3-thiazol-2-amine hydrobromide

• ChemBase ID: 295643
• Molecular Formular: C5H9BrN2S
• Molecular Mass: 209.10736
• Monoisotopic Mass: 207.9669813
• SMILES: Cc1c(sc(n1)N)C.Br
• Canonical SMILES: Nc1sc(c(n1)C)C.Br
• InChI: InChI=1S/C5H8N2S.BrH/c1-3-4(2)8-5(6)7-3;/h1-2H3,(H2,6,7);1H
• InChIKey: CATCJRCKBGAMKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl-1,3-thiazol-2-amine hydrobromide
• IUPAC Traditional name: dimethyl-1,3-thiazol-2-amine hydrobromide
• Synonyms: 4,5-Dimethyl-2-thiazolamine hydrobromide; 2-Amino-4,5-dimethylthiazole hydrobromide; 2-氨基-4,5-二甲基噻唑 氢溴化物

Database IDs

• CAS Number: 7170-76-5
• EC Number: 230-523-1
• MDL Number: MFCD00035212
• Beilstein Number: 3690705
• PubChem SID: 180681174
• PubChem CID: 73237

CALCULATED PROPERTIES

• Acid pKa: 17.92066
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.99507034
• LogD (pH = 7.4): 1.2597964
• Log P: 1.2645936
• Molar Refractivity: 35.0879 cm^3
• Polarizability: 12.777794 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 287-293°C

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 98%