2-(5-cyclohexylthiophen-2-yl)-5-[5-(5-cyclohexylthiophen-2-yl)thiophen-2-yl]thiophene

• ChemBase ID: 136606
• Molecular Formular: C28H30S4
• Molecular Mass: 494.7978
• Monoisotopic Mass: 494.12303496
• SMILES: c1cc(sc1c1ccc(s1)c1ccc(s1)C1CCCCC1)c1ccc(s1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)C1CCCCC1
• InChI: InChI=1S/C28H30S4/c1-3-7-19(8-4-1)21-11-13-23(29-21)25-15-17-27(31-25)28-18-16-26(32-28)24-14-12-22(30-24)20-9-5-2-6-10-20/h11-20H,1-10H2
• InChIKey: ZNKBLKKUTYWWAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-cyclohexylthiophen-2-yl)-5-[5-(5-cyclohexylthiophen-2-yl)thiophen-2-yl]thiophene
• IUPAC Traditional name: 2-(5-cyclohexylthiophen-2-yl)-5-[5-(5-cyclohexylthiophen-2-yl)thiophen-2-yl]thiophene
• Synonyms: 4,4′′′′-Dicyclohexyl-2,2′:5′′,2′′:5′′,2′′′:5′′′,2′′′′-quaterthiophene; CH4T

Database IDs

• CAS Number: 137373-70-7
• PubChem SID: 162230876
• PubChem CID: 54556309

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.511784
• LogD (pH = 7.4): 10.511784
• Log P: 10.511784
• Molar Refractivity: 140.6998 cm^3
• Polarizability: 58.39035 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: sublimed

Product Information

• Purity: >99%
• Loss on Drying: 0.5 wt. %, 240 °C
• Empirical Formula (Hill Notation): C28H30S4

DETAILS

Sigma Aldrich - L754072

Other Notes
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