5-hydrazinyl-2-methyl-1,3-benzothiazole

• ChemBase ID: 307279
• Molecular Formular: C8H9N3S
• Molecular Mass: 179.24216
• Monoisotopic Mass: 179.0517183
• SMILES: n1c2c(sc1C)ccc(c2)NN
• Canonical SMILES: NNc1ccc2c(c1)nc(s2)C
• InChI: InChI=1S/C8H9N3S/c1-5-10-7-4-6(11-9)2-3-8(7)12-5/h2-4,11H,9H2,1H3
• InChIKey: QEBQZVMXTRYUSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydrazinyl-2-methyl-1,3-benzothiazole
• IUPAC Traditional name: 5-hydrazinyl-2-methyl-1,3-benzothiazole
• Synonyms: 5-hydrazino-2-methyl-1,3-benzothiazole

Database IDs

• CAS Number: 90223-51-1
• MDL Number: MFCD09055317

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4686102
• LogD (pH = 7.4): 1.6258249
• Log P: 1.6281791
• Molar Refractivity: 51.2761 cm^3
• Polarizability: 19.932987 Å^3
• Polar Surface Area: 50.94 Å^2