2,5-Dimethylthiophene - ≥98%(GC) , CAS No.638-02-8

CAS: 638-02-8 Cat. No.: D155809 Molecular Weight: 112.19 Beilstein Registry Number: 106450 EC Number: 211-313-9

GRADE & PURITY ≥98%(GC)

Synonyms

NSC60689 | NSC-60689 | AKOS000121512 | FT-0610484 | EN300-21089 | EINECS 211-313-9 | 2,5-Dimethylthiophene, purum, >=98.0% (GC) | FT-0651650 | A834530 | 2,5-dimethyl thiophene | 2,5-Dimethylthiophene, analytical standard | AKOS016017809 | DTXSID2074295 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

NSC60689 | NSC-60689 | AKOS000121512 | FT-0610484 | EN300-21089 | EINECS 211-313-9 | 2, 5-Dimethylthiophene, purum, >=98.0% (GC) | FT-0651650 | A834530 | 2, 5-dimethyl thiophene | 2, 5-Dimethylthiophene, analytical standard | AKOS016017809 | DTXSID2074295 |

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488181688
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181688
• Canonical Smiles: CC1=CC=C(S1)C
• IUPAC Name: 2,5-dimethylthiophene
• InChIKey: GWQOOADXMVQEFT-UHFFFAOYSA-N
• INCHI: 1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
• Isomeric SMILES: CC1=CC=C(S1)C
• WGK Germany: 3
• UN Number: 1993
• Packing Group: III
• Molecular Weight: 112.19
• Beilstein: 106450
• Reaxy-Rn: 106450
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106450&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiophenes
      • Subclass 2,5-disubstituted thiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiophenes
• Subclass: 2,5-disubstituted thiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-disubstituted thiophenes
• Alternative Parents: Heteroaromatic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted thiophene - Heteroaromatic compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions.
• 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

• Solubility: Insoluble in water. Soluble in alcohol, ether and benzene.
• Sensitivity: Air Sensitive
• Refractive Index: 1.5120
• Flash Point(°F): 75°F
• Flash Point(°C): 24 °C
• Boil Point(°C): 134-136℃
• Melt Point(°C): -63℃
• Molecular Weight: 112.190 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 112.035 Da
• Monoisotopic Mass: 112.035 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 53.200
• 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. Wenling Hu, Xiaolong Han, Liangliang Liu, Xin Zhang, Juanqin Xue, Baoyi Wang, Peng Zhang, Xingzhong Cao.  (2016)  PEG/PVDF membranes for separating organosulphur compounds from n-heptane: Effect of PEG molecular weight.  CANADIAN JOURNAL OF CHEMICAL ENGINEERING,  95  (2): (364-371).  [PMID:] [10.1002/cjce.22657]

2. Lei Yu, Shixiong Zhang, Liang Liu, Di Li, Yongli Cai, Chenxin Wu, Lei Hua, Haiyang Li, Dehui Deng, Ping Chen, Zhenfeng Xi, Jianping Guo, Junnian Wei.  (2026)  Direct cyanation of aromatic rings using dinitrogen and methane promoted by nonthermal plasma.  Science Advances,  12  (8):   [PMID:41719384] [10.1126/sciadv.ady3414]