imidazo[2,1-b][1,3]thiazol-6-ylmethanamine dihydrochloride

• ChemBase ID: 144325
• Molecular Formular: C6H9Cl2N3S
• Molecular Mass: 226.12676
• Monoisotopic Mass: 224.98942366
• SMILES: c1csc2n1cc(n2)CN.Cl.Cl
• Canonical SMILES: NCc1nc2n(c1)ccs2.Cl.Cl
• InChI: InChI=1S/C6H7N3S.2ClH/c7-3-5-4-9-1-2-10-6(9)8-5;;/h1-2,4H,3,7H2;2*1H
• InChIKey: GGDPTFFNPHDTFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[2,1-b][1,3]thiazol-6-ylmethanamine dihydrochloride
• IUPAC Traditional name: imidazo[2,1-b][1,3]thiazol-6-ylmethanamine dihydrochloride
• Synonyms: (Imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amine dihydrochloride; 1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine dihydrochloride

Database IDs

• MDL Number: MFCD10686676
• PubChem SID: 162238540
• PubChem CID: 43810536

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.702967
• LogD (pH = 7.4): -0.9549815
• Log P: 0.1116
• Molar Refractivity: 51.4636 cm^3
• Polarizability: 15.352601 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 260 - 262°C
• Hydrophobicity(logP): -0.081

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C6H9Cl2N3S

DETAILS

Sigma Aldrich - CBR00973

Analysis Note
may contain trace amounts of water and/or NaCl
Other Notes
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Legal Information
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