2-(dimethyl-1,3-thiazol-2-yl)ethan-1-amine dihydrochloride

• ChemBase ID: 143786
• Molecular Formular: C7H14Cl2N2S
• Molecular Mass: 229.17046
• Monoisotopic Mass: 228.02547482
• SMILES: Cc1c(sc(n1)CCN)C.Cl.Cl
• Canonical SMILES: NCCc1sc(c(n1)C)C.Cl.Cl
• InChI: InChI=1S/C7H12N2S.2ClH/c1-5-6(2)10-7(9-5)3-4-8;;/h3-4,8H2,1-2H3;2*1H
• InChIKey: RMNRIRGBVFJQJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethyl-1,3-thiazol-2-yl)ethan-1-amine dihydrochloride
• IUPAC Traditional name: 2-(dimethyl-1,3-thiazol-2-yl)ethanamine dihydrochloride
• Synonyms: 2-(4,5-Dimethyl-1,3-thiazol-2-yl)ethanamine dihydrochloride

Database IDs

• MDL Number: MFCD13186118
• PubChem SID: 162238003
• PubChem CID: 47000702

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1402736
• LogD (pH = 7.4): -1.1597975
• Log P: 0.8452172
• Molar Refractivity: 43.414 cm^3
• Polarizability: 16.75003 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C7H14Cl2N2S

DETAILS

Sigma Aldrich - CBR00642

Other Notes
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Legal Information
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