N-methyl-1,3-thiazol-5-amine hydrochloride

• ChemBase ID: 811086
• Molecular Formular: C4H7ClN2S
• Molecular Mass: 150.62978
• Monoisotopic Mass: 150.00184691
• SMILES: Cl.N(C)c1scnc1
• Canonical SMILES: CNc1cncs1.Cl
• InChI: InChI=1S/C4H6N2S.ClH/c1-5-4-2-6-3-7-4;/h2-3,5H,1H3;1H
• InChIKey: CYTIQHWDFRYAHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1,3-thiazol-5-amine hydrochloride
• IUPAC Traditional name: N-methyl-1,3-thiazol-5-amine hydrochloride
• Synonyms: THIAZOL-5-YL-METHYLAMINE HYDROCHLORIDE

Database IDs

• CAS Number: 131052-46-5

CALCULATED PROPERTIES

• Acid pKa: 19.735645
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.26910508
• LogD (pH = 7.4): 0.2707907
• Log P: 0.2708127
• Molar Refractivity: 30.6201 cm^3
• Polarizability: 11.107558 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%