(4-ethyl-1,3-thiazol-2-yl)methanamine dihydrochloride

• ChemBase ID: 144335
• Molecular Formular: C6H12Cl2N2S
• Molecular Mass: 215.14388
• Monoisotopic Mass: 214.00982475
• SMILES: CCc1csc(n1)CN.Cl.Cl
• Canonical SMILES: CCc1csc(n1)CN.Cl.Cl
• InChI: InChI=1S/C6H10N2S.2ClH/c1-2-5-4-9-6(3-7)8-5;;/h4H,2-3,7H2,1H3;2*1H
• InChIKey: OGYSYFOHRPZQEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethyl-1,3-thiazol-2-yl)methanamine dihydrochloride
• IUPAC Traditional name: (4-ethyl-1,3-thiazol-2-yl)methanamine dihydrochloride
• Synonyms: 1-(4-Ethyl-1,3-thiazol-2-yl)methanamine dihydrochloride

Database IDs

• MDL Number: MFCD09864312
• PubChem SID: 162238550
• PubChem CID: 53398920

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7258891
• LogD (pH = 7.4): -0.03181168
• Log P: 0.6628795
• Molar Refractivity: 38.2852 cm^3
• Polarizability: 15.071529 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): C6H12Cl2N2S

DETAILS

Sigma Aldrich - CBR00967

Analysis Note
may contain trace amounts of water
Other Notes
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Legal Information
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