2-hydrazinyl-4-(thiophen-2-yl)-1,3-thiazole

• ChemBase ID: 300024
• Molecular Formular: C7H7N3S2
• Molecular Mass: 197.28058
• Monoisotopic Mass: 197.00813924
• SMILES: c1cc(sc1)c1csc(n1)NN
• Canonical SMILES: NNc1scc(n1)c1cccs1
• InChI: InChI=1S/C7H7N3S2/c8-10-7-9-5(4-12-7)6-2-1-3-11-6/h1-4H,8H2,(H,9,10)
• InChIKey: QYFFQQHJTLJVGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-4-(thiophen-2-yl)-1,3-thiazole
• IUPAC Traditional name: 2-hydrazinyl-4-(thiophen-2-yl)-1,3-thiazole
• Synonyms: 2-Hydrazino-4-(2-thienyl)thiazole

Database IDs

• MDL Number: MFCD06739917

CALCULATED PROPERTIES

• Acid pKa: 15.327674
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.4929857
• LogD (pH = 7.4): 2.517829
• Log P: 2.5181549
• Molar Refractivity: 52.1005 cm^3
• Polarizability: 20.281895 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%