3-Octylthiophene

• CAS: 65016-62-8
• Catalog Number: ACM65016628
• Category: Other
• Molecular Weight: 196.35
• Molecular Formula: C₁₂H₂₀S
• Synonyms: 3-OCTYLTHIOPHENE
• IUPAC Name: 3-octylthiophene
• Canonical SMILES: CCCCCCCCC1=CSC=C1
• InChI Key: WQYWXQCOYRZFAV-UHFFFAOYSA-N
• Boiling Point: 106-107 °C3 mm Hg(lit.)
• Flash Point: >230 °F
• Density: 0.92 g/mL at 25 °C(lit.)
• Appearance: CLEAR COLOURLESS TO YELLOW LIQUID
• Exact Mass: 180.09000
• Hazard Statements: Xn,Xi
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Safety Description: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .; S36:Wear suitable protective clothing .; S37/39:Wear suitable gloves and eye/face protection .
• Stability: Stable. Incompatible with strong oxidizing agents.
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3-Octylthiophene?

The molecular formula of 3-Octylthiophene is C12H20S.

What is the molecular weight of 3-Octylthiophene?

The molecular weight of 3-Octylthiophene is 196.35 g/mol.

What is the IUPAC name of 3-Octylthiophene?

The IUPAC name of 3-Octylthiophene is 3-octylthiophene.

What is the InChI of 3-Octylthiophene?

The InChI of 3-Octylthiophene is InChI=1S/C12H20S/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11H,2-8H2,1H3.

What is the InChIKey of 3-Octylthiophene?

The InChIKey of 3-Octylthiophene is WQYWXQCOYRZFAV-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Octylthiophene?

The canonical SMILES of 3-Octylthiophene is CCCCCCCCC1=CSC=C1.

What is the CAS number of 3-Octylthiophene?

The CAS number of 3-Octylthiophene is 65016-62-8.

What is the European Community (EC) number of 3-Octylthiophene?

The European Community (EC) number of 3-Octylthiophene is 628-784-5.

What is the XLogP3 value of 3-Octylthiophene?

The XLogP3 value of 3-Octylthiophene is 6.1.

Is 3-Octylthiophene a canonicalized compound?

Yes, 3-Octylthiophene is a canonicalized compound.