3-decylthiophene

• ChemBase ID: 140228
• Molecular Formular: C14H24S
• Molecular Mass: 224.40536
• Monoisotopic Mass: 224.15987177
• SMILES: CCCCCCCCCCc1ccsc1
• Canonical SMILES: CCCCCCCCCCc1cscc1
• InChI: InChI=1S/C14H24S/c1-2-3-4-5-6-7-8-9-10-14-11-12-15-13-14/h11-13H,2-10H2,1H3
• InChIKey: JAYBIBLZTQMCAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-decylthiophene
• IUPAC Traditional name: 3-decylthiophene
• Synonyms: 3-Decylthiophene; 3-Decylthiophene; 3-癸基噻吩

Database IDs

• CAS Number: 65016-55-9
• MDL Number: MFCD00143180
• PubChem SID: 24869165; 162234472
• PubChem CID: 566842

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.268227
• LogD (pH = 7.4): 6.268227
• Log P: 6.268227
• Molar Refractivity: 69.614 cm^3
• Polarizability: 27.33348 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 119-120 °C/1.2 mmHg(lit.)
• Flash Point: >113 °C; >235.4 °F
• Density: 0.912 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.489(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 95+%; 97%
• Empirical Formula (Hill Notation): C14H24S

DETAILS

Sigma Aldrich - 456357

Application
Conducting polymer precursor.1
Packaging
5 g in glass bottle