4-(thiophen-2-yl)butanehydrazide

• ChemBase ID: 273594
• Molecular Formular: C8H12N2OS
• Molecular Mass: 184.25868
• Monoisotopic Mass: 184.06703401
• SMILES: s1c(ccc1)CCCC(=O)NN
• Canonical SMILES: NNC(=O)CCCc1cccs1
• InChI: InChI=1S/C8H12N2OS/c9-10-8(11)5-1-3-7-4-2-6-12-7/h2,4,6H,1,3,5,9H2,(H,10,11)
• InChIKey: VHGARKVXCIXDSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(thiophen-2-yl)butanehydrazide
• IUPAC Traditional name: 4-(thiophen-2-yl)butanehydrazide
• Synonyms: 4-(thiophen-2-yl)butanehydrazide

Database IDs

• MDL Number: MFCD09808386
• PubChem SID: 164329504
• PubChem CID: 20112805

CALCULATED PROPERTIES

• Acid pKa: 12.850484
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3070412
• LogD (pH = 7.4): 1.3095608
• Log P: 1.3095945
• Molar Refractivity: 49.9178 cm^3
• Polarizability: 18.995714 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.498

Product Information

• Purity: 95%