2-hydrazinyl-4-(thiophen-2-yl)pyrimidine

• ChemBase ID: 309844
• Molecular Formular: C8H8N4S
• Molecular Mass: 192.24092
• Monoisotopic Mass: 192.04696728
• SMILES: n1c(nccc1c1sccc1)NN
• Canonical SMILES: NNc1nccc(n1)c1cccs1
• InChI: InChI=1S/C8H8N4S/c9-12-8-10-4-3-6(11-8)7-2-1-5-13-7/h1-5H,9H2,(H,10,11,12)
• InChIKey: ZSRIQZRXBJYUIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-4-(thiophen-2-yl)pyrimidine
• IUPAC Traditional name: 2-hydrazinyl-4-(thiophen-2-yl)pyrimidine
• Synonyms: 2-hydrazino-4-(2-thienyl)pyrimidine

Database IDs

• MDL Number: MFCD08556249

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8386508
• LogD (pH = 7.4): 1.9290936
• Log P: 1.9303879
• Molar Refractivity: 54.0291 cm^3
• Polarizability: 20.714882 Å^3
• Polar Surface Area: 63.83 Å^2