4-methyl-1,3-thiazol-2-amine hydrochloride

• ChemBase ID: 54264
• Molecular Formular: C4H7ClN2S
• Molecular Mass: 150.62978
• Monoisotopic Mass: 150.00184691
• SMILES: s1c(nc(c1)C)N.Cl
• Canonical SMILES: Cc1csc(n1)N.Cl
• InChI: InChI=1S/C4H6N2S.ClH/c1-3-2-7-4(5)6-3;/h2H,1H3,(H2,5,6);1H
• InChIKey: WUMMJVLSXMYDRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1,3-thiazol-2-amine hydrochloride
• IUPAC Traditional name: 2-thiazolamine, 4-methyl- hydrochloride
• Synonyms: 4-Methyl-thiazol-2-ylamine hydrochloride

Database IDs

• CAS Number: 6142-15-0
• MDL Number: MFCD00035214
• PubChem SID: 162059027
• PubChem CID: 80240

CALCULATED PROPERTIES

• Acid pKa: 16.989508
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5118328
• LogD (pH = 7.4): 0.61719704
• Log P: 0.6187328
• Molar Refractivity: 30.0316 cm^3
• Polarizability: 11.026283 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%