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

• ChemBase ID: 271914
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: n1c(csc1CC)CN
• Canonical SMILES: CCc1scc(n1)CN
• InChI: InChI=1S/C6H10N2S/c1-2-6-8-5(3-7)4-9-6/h4H,2-3,7H2,1H3
• InChIKey: HZZPGOJICYGVTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 933707-20-1
• MDL Number: MFCD09693918
• PubChem SID: 164327824
• PubChem CID: 16494967

CALCULATED PROPERTIES

• Polarizability: 15.07153 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.924358
• LogD (pH = 7.4): -0.2667149
• Log P: 0.6628795
• Molar Refractivity: 38.2852 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.466

Product Information

• Purity: 95%