2-hydrazinyl-4-methyl-1,3-thiazole hydrochloride

• ChemBase ID: 55195
• Molecular Formular: C4H8ClN3S
• Molecular Mass: 165.64442
• Monoisotopic Mass: 165.01274595
• SMILES: s1c(nc(c1)C)NN.Cl
• Canonical SMILES: Cc1csc(n1)NN.Cl
• InChI: InChI=1S/C4H7N3S.ClH/c1-3-2-8-4(6-3)7-5;/h2H,5H2,1H3,(H,6,7);1H
• InChIKey: PJVVBMWIMGMGGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-4-methyl-1,3-thiazole hydrochloride
• IUPAC Traditional name: 2-hydrazinyl-4-methyl-1,3-thiazole hydrochloride
• Synonyms: 2-Hydrazino-4-methyl-1,3-thiazole hydrochloride

Database IDs

• CAS Number: 78886-45-0
• MDL Number: MFCD07290056
• PubChem SID: 162059958
• PubChem CID: 16249359

CALCULATED PROPERTIES

• Acid pKa: 15.900442
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.58109087
• LogD (pH = 7.4): 0.61836076
• Log P: 0.8393014
• Molar Refractivity: 35.0379 cm^3
• Polarizability: 12.461592 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 205 - 207°C
• Hydrophobicity(logP): 1.156

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl