1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethan-1-amine dihydrochloride

• ChemBase ID: 55462
• Molecular Formular: C7H11Cl2N3S
• Molecular Mass: 240.15334
• Monoisotopic Mass: 239.00507373
• SMILES: Cl.Cl.NC(C)c1nc2sccn2c1
• Canonical SMILES: CC(c1nc2n(c1)ccs2)N.Cl.Cl
• InChI: InChI=1S/C7H9N3S.2ClH/c1-5(8)6-4-10-2-3-11-7(10)9-6;;/h2-5H,8H2,1H3;2*1H
• InChIKey: YTGHEXVLUUDAIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethan-1-amine dihydrochloride
• IUPAC Traditional name: 1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethanamine dihydrochloride
• Synonyms: (1-Imidazo[2,1-b][1,3]thiazol-6-ylethyl)amine dihydrochloride; (1-Imidazo[2,1-b][1,3]thiazol-6-ylethyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD09864447
• PubChem SID: 162060225
• PubChem CID: 24251758

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3360229
• LogD (pH = 7.4): -0.6400107
• Log P: 0.6491
• Molar Refractivity: 55.9575 cm^3
• Polarizability: 17.18628 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C7H11Cl2N3S

DETAILS

Sigma Aldrich - CBR00664

Other Notes
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Legal Information
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