2-(2-methyl-1,3-thiazol-4-yl)ethan-1-amine hydrobromide

• ChemBase ID: 240103
• Molecular Formular: C6H11BrN2S
• Molecular Mass: 223.13394
• Monoisotopic Mass: 221.98263136
• SMILES: n1c(scc1CCN)C.Br
• Canonical SMILES: Cc1nc(cs1)CCN.Br
• InChI: InChI=1S/C6H10N2S.BrH/c1-5-8-6(2-3-7)4-9-5;/h4H,2-3,7H2,1H3;1H
• InChIKey: UBPJEZMOWYJQDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methyl-1,3-thiazol-4-yl)ethan-1-amine hydrobromide
• IUPAC Traditional name: 2-(2-methyl-1,3-thiazol-4-yl)ethanamine hydrobromide
• Synonyms: 2-(2-methyl-1,3-thiazol-4-yl)ethan-1-amine hydrobromide

Database IDs

• MDL Number: MFCD22378784
• PubChem SID: 164296013
• PubChem CID: 71756463

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7924285
• LogD (pH = 7.4): -1.8764048
• Log P: 0.19935639
• Molar Refractivity: 38.3577 cm^3
• Polarizability: 14.991404 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.276

Product Information

• Purity: 95%