N-methyl-4,5-dihydro-1,3-thiazol-2-amine hydrochloride

• ChemBase ID: 261788
• Molecular Formular: C4H9ClN2S
• Molecular Mass: 152.64566
• Monoisotopic Mass: 152.01749698
• SMILES: C1(=NCCS1)NC.Cl
• Canonical SMILES: CNC1=NCCS1.Cl
• InChI: InChI=1S/C4H8N2S.ClH/c1-5-4-6-2-3-7-4;/h2-3H2,1H3,(H,5,6);1H
• InChIKey: DGUZVXMJQIKOLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4,5-dihydro-1,3-thiazol-2-amine hydrochloride
• IUPAC Traditional name: N-methyl-4,5-dihydro-1,3-thiazol-2-amine hydrochloride
• Synonyms: N-methyl-4,5-dihydro-1,3-thiazol-2-amine hydrochloride

Database IDs

• MDL Number: MFCD12912985
• PubChem SID: 164317698
• PubChem CID: 45791894

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9207186
• LogD (pH = 7.4): -1.446242
• Log P: 0.4835356
• Molar Refractivity: 32.4699 cm^3
• Polarizability: 12.3222 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 66°C
• Hydrophobicity(logP): -0.947

Product Information

• Purity: 95%