3-Dodecylthiophene - ≥98% , CAS No.104934-52-3

CAS: 104934-52-3 Cat. No.: D101024 Formula: C₁₆H₂₈S Molecular Weight: 252.46 EC Number: 641-152-3

GRADE & PURITY ≥98%

Synonyms

SCHEMBL79577 | SY011230 | AC-33675 | BIDD:GT0253 | MFCD31699966 | AKOS005254617 | C16H28S | MFCD26958733 | GEO-01280 | W-200077 | 3-Dodecylthiophene, 97% | MFCD00130121 | FT-0616209 | F14937 | 3-dodecyl thiophene | 3-Dodecylthiophene | 3-dodecyl-thiophene

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Product introduction

3-Dodecylthiophene (3-DT) is a conjugating monomer that can be used as an active layer on semiconductors. It has good electronic properties and can be used in the development of p-type semiconducting polymers. It is mainly used in the formation of poly(3-dodecylthiophene) (P3DT) through electrochemical polymerization. P3DT can further be utilized for a variety of organic electronic based applications.

Specifications

Synonyms

SCHEMBL79577 | SY011230 | AC-33675 | BIDD:GT0253 | MFCD31699966 | AKOS005254617 | C16H28S | MFCD26958733 | GEO-01280 | W-200077 | 3-Dodecylthiophene, 97% | MFCD00130121 | FT-0616209 | F14937 | 3-dodecyl thiophene | 3-Dodecylthiophene | 3-dodecyl-thiophene

Specifications & Purity

≥98%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192416
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192416
• Canonical Smiles: CCCCCCCCCCCCC1=CSC=C1
• IUPAC Name: 3-dodecylthiophene
• InChIKey: RFKWIEFTBMACPZ-UHFFFAOYSA-N
• INCHI: 1S/C16H28S/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16/h13-15H,2-12H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCC1=CSC=C1
• WGK Germany: 3
• Molecular Weight: 252.46
• Reaxy-Rn: 5905685
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5905685&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Thiophenes Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.488
• Flash Point(°F): >113 °C
• Flash Point(°C): >113°C
• Boil Point(°C): 290°C
• Molecular Weight: 252.500 g/mol
• XLogP3: 8.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 252.191 Da
• Monoisotopic Mass: 252.191 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 156.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Lulu Wang, Laihong Shen, Yuyang Long, Dongsheng Shen, Shouxi Jiang.  (2022)  The behavior of organic sulfur species in fuel during chemical looping gasification.  ENVIRONMENTAL POLLUTION,      [PMID:36115485] [10.1016/j.envpol.2022.120165]

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 104934-52-3, the molecular formula is C16H28S, and the molecular weight is 252.46 g/mol. InChIKey RFKWIEFTBMACPZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.