5-ethylthiophene-3-carbohydrazide

• ChemBase ID: 27283
• Molecular Formular: C7H10N2OS
• Molecular Mass: 170.2321
• Monoisotopic Mass: 170.05138395
• SMILES: c1(cc(sc1)CC)C(=O)NN
• Canonical SMILES: NNC(=O)c1csc(c1)CC
• InChI: InChI=1S/C7H10N2OS/c1-2-6-3-5(4-11-6)7(10)9-8/h3-4H,2,8H2,1H3,(H,9,10)
• InChIKey: UWIQQMWVFFEKHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethylthiophene-3-carbohydrazide
• IUPAC Traditional name: 5-ethylthiophene-3-carbohydrazide
• Synonyms: 5-Ethylthiophene-3-carbohydrazide

Database IDs

• CAS Number: 438225-57-1
• MDL Number: MFCD03419848
• PubChem SID: 160990590
• PubChem CID: 3856024

CALCULATED PROPERTIES

• Acid pKa: 14.529376
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3975137
• LogD (pH = 7.4): 1.3982722
• Log P: 1.3982818
• Molar Refractivity: 46.3066 cm^3
• Polarizability: 16.88935 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false