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

• ChemBase ID: 308205
• Molecular Formular: C4H7N3S
• Molecular Mass: 129.18348
• Monoisotopic Mass: 129.03606824
• SMILES: n1c(scc1C)NN
• Canonical SMILES: Cc1csc(n1)NN
• InChI: InChI=1S/C4H7N3S/c1-3-2-8-4(6-3)7-5/h2H,5H2,1H3,(H,6,7)
• InChIKey: HEMUPBRNDLMSNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 78886-45-0
• MDL Number: MFCD02672640

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7991382
• LogD (pH = 7.4): 0.8387721
• Log P: 0.8393014
• Molar Refractivity: 35.0379 cm^3
• Polarizability: 12.461592 Å^3
• Polar Surface Area: 50.94 Å^2