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

• ChemBase ID: 24530
• Molecular Formular: C5H8N2S
• Molecular Mass: 128.19542
• Monoisotopic Mass: 128.04081927
• SMILES: n1c(csc1C)CN
• Canonical SMILES: Cc1nc(cs1)CN
• InChI: InChI=1S/C5H8N2S/c1-4-7-5(2-6)3-8-4/h3H,2,6H2,1H3
• InChIKey: ZCKAEFOHSOQKHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methyl-1,3-thiazol-4-yl)methanamine
• IUPAC Traditional name: (2-methyl-1,3-thiazol-4-yl)methanamine
• Synonyms: 1-(2-methyl-1,3-thiazol-4-yl)methanamine; 2-Methyl-1,3-thiazole-4-methylamine; 4-(Aminomethyl)-2-methyl-1,3-thiazole 97%; (2-Methyl-1,3-thiazol-4-yl)methylamine; C-(2-METHYL-THIAZOL-4-YL)-METHYLAMINE; (2-methyl-1,3-thiazol-4-yl)methanamine

Database IDs

• CAS Number: 103694-26-4
• MDL Number: MFCD06212804
• PubChem SID: 160987837
• PubChem CID: 18467479

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6272247
• LogD (pH = 7.4): -0.970441
• Log P: -0.03765635
• Molar Refractivity: 33.6583 cm^3
• Polarizability: 13.235427 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.063

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%; 98%