4-bromo-5-ethylthiophene-2-carbohydrazide

• ChemBase ID: 306446
• Molecular Formular: C7H9BrN2OS
• Molecular Mass: 249.12816
• Monoisotopic Mass: 247.96189592
• SMILES: c1(sc(c(c1)Br)CC)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc(c(s1)CC)Br
• InChI: InChI=1S/C7H9BrN2OS/c1-2-5-4(8)3-6(12-5)7(11)10-9/h3H,2,9H2,1H3,(H,10,11)
• InChIKey: QXWMGRCTVJVNBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-5-ethylthiophene-2-carbohydrazide
• IUPAC Traditional name: 4-bromo-5-ethylthiophene-2-carbohydrazide
• Synonyms: 4-bromo-5-ethylthiophene-2-carbohydrazide

Database IDs

• CAS Number: 832737-57-2
• MDL Number: MFCD03423200

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.29885
• LogD (pH = 7.4): 2.2994657
• Log P: 2.299474
• Molar Refractivity: 53.7135 cm^3
• Polarizability: 19.871458 Å^3
• Polar Surface Area: 55.12 Å^2