2-hydrazinyl-4,5-dihydro-1,3-thiazole hydrobromide

• ChemBase ID: 78814
• Molecular Formular: C3H8BrN3S
• Molecular Mass: 198.08472
• Monoisotopic Mass: 196.96223027
• SMILES: N1=C(SCC1)NN.Br
• Canonical SMILES: NNC1=NCCS1.Br
• InChI: InChI=1S/C3H7N3S.BrH/c4-6-3-5-1-2-7-3;/h1-2,4H2,(H,5,6);1H
• InChIKey: XYTRVFMNMJPWQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-4,5-dihydro-1,3-thiazole hydrobromide
• IUPAC Traditional name: 2-hydrazinyl-4,5-dihydro-1,3-thiazole hydrobromide
• Synonyms: 1-(4,5-Dihydro-1,3-thiazol-2-yl)hydrazine hydrobromide

Database IDs

• MDL Number: MFCD00218225
• PubChem SID: 162043577
• PubChem CID: 2774303

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1850674
• LogD (pH = 7.4): -0.7092215
• Log P: -0.025716167
• Molar Refractivity: 42.6722 cm^3
• Polarizability: 11.921056 Å^3
• Polar Surface Area: 50.41 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true