2-butyl-5-ethylthiophene

• ChemBase ID: 295851
• Molecular Formular: C10H16S
• Molecular Mass: 168.29904
• Monoisotopic Mass: 168.09727151
• SMILES: CCCCc1ccc(s1)CC
• Canonical SMILES: CCCCc1ccc(s1)CC
• InChI: InChI=1S/C10H16S/c1-3-5-6-10-8-7-9(4-2)11-10/h7-8H,3-6H2,1-2H3
• InChIKey: ORAPMLHUSQJCQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butyl-5-ethylthiophene
• IUPAC Traditional name: 2-butyl-5-ethylthiophene
• Synonyms: 2-n-Butyl-5-ethylthiophene; 2-正丁基-5-乙基噻吩

Database IDs

• CAS Number: 54411-06-2
• MDL Number: MFCD00053118
• PubChem SID: 180681382
• PubChem CID: 521504

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.823684
• LogD (pH = 7.4): 4.823684
• Log P: 4.823684
• Molar Refractivity: 51.5264 cm^3
• Polarizability: 19.87176 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%