1-Azetidinethiocarboxylic acid, (1-(2-pyridyl)ethylidene)hydrazide

Base Information

• Chemical Name: 1-Azetidinethiocarboxylic acid, (1-(2-pyridyl)ethylidene)hydrazide
• CAS No.: 71555-25-4
• Molecular Formula: C₁₁H₁₄N₄S
• Molecular Weight: 234.325
• Nikkaji Number: J84.708I
• ChEMBL ID: CHEMBL3250982
• Mol file: 71555-25-4.mol

Synonyms:NSC 319726;71555-25-4;BRN 1467133;1-Azetidinethiocarboxylic acid, (1-(2-pyridyl)ethylidene)hydrazide;NSC-319726;C11-H14-N4-S;ZMC1;MLS006010247;CHEMBL3250982;1-Azetidinecarbothioic acid [1-(2-pyridinyl)ethylidene]hydrazide;AKOS026750499;LS-23129;SMR004701323;SW219844-1;N'-[1-(2-Pyridyl)ethylidene]-1-azetidinecarbothiohydrazide;N'-(1-(2-Pyridinyl)ethylidene)-1-azetidinecarbothiohydrazide;N-[(Z)-1-(2-pyridyl)ethylideneamino]azetidine-1-carbothioamide;Azetidinecarbothioic acid, {[1-(2-pyridinyl)ethylidene]} hydrazide

Chemical Property of 1-Azetidinethiocarboxylic acid, (1-(2-pyridyl)ethylidene)hydrazide

Chemical Property:

• Melting Point: 175-176 °C(Solv: acetonitrile (75-05-8))
• Boiling Point: 367.7±34.0 °C(Predicted)
• PKA: 11.52±0.20(Predicted)
• Flash Point: 176.2oC
• PSA: 72.61000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 1.71460
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• Solubility.: insoluble in H2O; ≥3.43 mg/mL in EtOH with gentle warming and ultrasonic; ≥8.1 mg/mL in DMSO
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 234.09391764
• Heavy Atom Count: 16
• Complexity: 286

Purity/Quality:

99% ^*data from raw suppliers

NSC 319726 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NNC(=S)N1CCC1)C2=CC=CC=N2
• Isomeric SMILES: C/C(=N/NC(=S)N1CCC1)/C2=CC=CC=N2
• Uses: NSC 319726 increases growth inhibitory activity in mutant p53 cells, particularly for the p53R175 mutant. NSC319726 is a p53R175 mutant reactivator and is a lead compound for p53-?targeted drug development.