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

• ChemBase ID: 143936
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: Cc1csc(n1)C(C)N
• Canonical SMILES: Cc1csc(n1)C(N)C
• InChI: InChI=1S/C6H10N2S/c1-4-3-9-6(8-4)5(2)7/h3,5H,7H2,1-2H3
• InChIKey: NSXQYSQZXMGRPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 538328-18-6
• MDL Number: MFCD05221828
• PubChem SID: 162238153
• PubChem CID: 4558721

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.027238
• LogD (pH = 7.4): -0.35990873
• Log P: 0.5311079
• Molar Refractivity: 38.1522 cm^3
• Polarizability: 15.071604 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.246

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C6H10N2S

DETAILS

Sigma Aldrich - CBR00036

Other Notes
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Legal Information
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