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

• ChemBase ID: 115325
• Molecular Formular: C7H7N3OS
• Molecular Mass: 181.21498
• Monoisotopic Mass: 181.03098286
• SMILES: n1c(c2occc2)csc1NN
• Canonical SMILES: NNc1scc(n1)c1ccco1
• InChI: InChI=1S/C7H7N3OS/c8-10-7-9-5(4-12-7)6-2-1-3-11-6/h1-4H,8H2,(H,9,10)
• InChIKey: CHVBUBDKTCFMMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(furan-2-yl)-2-hydrazinyl-1,3-thiazole
• IUPAC Traditional name: 4-(furan-2-yl)-2-hydrazinyl-1,3-thiazole
• Synonyms: 4-(2-furyl)-2-hydrazino-1,3-thiazole; 4-(2-Furyl)-2-hydrazinothiazole

Database IDs

• MDL Number: MFCD11615098
• PubChem SID: 162101296
• PubChem CID: 28354991

CALCULATED PROPERTIES

• Acid pKa: 15.223729
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7793015
• LogD (pH = 7.4): 1.8009702
• Log P: 1.8012536
• Molar Refractivity: 47.6015 cm^3
• Polarizability: 18.499166 Å^3
• Polar Surface Area: 64.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.108

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: 95+%; 97%