5-cyclopropylthiophene-3-carbonitrile

• ChemBase ID: 795880
• Molecular Formular: C8H7NS
• Molecular Mass: 149.21288
• Monoisotopic Mass: 149.02992023
• SMILES: s1cc(cc1C1CC1)C#N
• Canonical SMILES: N#Cc1csc(c1)C1CC1
• InChI: InChI=1S/C8H7NS/c9-4-6-3-8(10-5-6)7-1-2-7/h3,5,7H,1-2H2
• InChIKey: HRYIHVSSBLATOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropylthiophene-3-carbonitrile
• IUPAC Traditional name: 5-cyclopropylthiophene-3-carbonitrile
• Synonyms: 5-Cyclopropylthiophene-3-carbonitrile

Database IDs

• CAS Number: 1245643-73-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5235066
• LogD (pH = 7.4): 2.5235066
• Log P: 2.5235066
• Molar Refractivity: 41.1351 cm^3
• Polarizability: 15.534727 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%