3-Thiopheneethanol - ≥98%(GC) , CAS No.13781-67-4

CAS: 13781-67-4 Cat. No.: T162832 Molecular Weight: 128.19 Beilstein Registry Number: 107080 EC Number: 237-434-7 PubChem CID: 83731

GRADE & PURITY ≥98%(GC)

Synonyms

AM61323 | FT-0608565 | J-007062 | Oprea1_728732 | 3-Thiopheneethanol, 99% | 2-thiophen-3-ylethanol | 4-isoamyloxybenzoic acid | EN300-62324 | 2-(3-Thienyl)-1-ethanol | 2-(Thiophen-3-yl)ethanol | Acetic acid, phenyl-, 1,5-dimethyl-1-vinyl-4-hexenyl ester |

Storage

Room temperature

Shipped In

Normal

Overview

3-Thiopheneethanol [3-(2-hydroxyethyl)thiophene] was used in the synthesis of various ether and ester derivatives such as 3-(2-(benzyloxy)ethyl)thiophene, 3-[2-((triphenylmethyl)oxy)ethyl]thiophene, 3-[2-((trimethylsilyl)oxy)ethyl]thiophene, 3-[2-((dimethyl-tert-butylsilyl)oxy)ethyl]thiophene, 3-(2-acetoxyethyl)thiophene and 3-(2-(benzoyloxy)ethyl)thiophene.

Specifications

Synonyms

AM61323 | FT-0608565 | J-007062 | Oprea1_728732 | 3-Thiopheneethanol, 99% | 2-thiophen-3-ylethanol | 4-isoamyloxybenzoic acid | EN300-62324 | 2-(3-Thienyl)-1-ethanol | 2-(Thiophen-3-yl)ethanol | Acetic acid, phenyl-, 1, 5-dimethyl-1-vinyl-4-hexenyl ester |

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488186206
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186206
• Canonical Smiles: C1=CSC=C1CCO
• IUPAC Name: 2-thiophen-3-ylethanol
• InChIKey: YYPNNBPPDFTQFX-UHFFFAOYSA-N
• INCHI: 1S/C6H8OS/c7-3-1-6-2-4-8-5-6/h2,4-5,7H,1,3H2
• Isomeric SMILES: C1=CSC=C1CCO
• WGK Germany: 3
• PubChem CID: 83731
• Molecular Weight: 128.19
• Beilstein: 107080
• Reaxy-Rn: 107080

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 Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - 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

• Solubility: Sparingly soluble in water(0.059 g/L at 25°C).
• Refractive Index: 1.553
• Flash Point(°F): 197°F
• Flash Point(°C): 92℃
• Boil Point(°C): 110-111℃/14mm
• Molecular Weight: 128.190 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 128.03 Da
• Monoisotopic Mass: 128.03 Da
• Topological Polar Surface Area: 48.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 65.500
• 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. Longfeng Sun, Huan Liu, Xuefeng Gui, Lingli Liu, Dongxia Li, Xiangfeng Sun, Yuxin Xue, Chongxian Luo, Kai Xu.  (2025)  A novel sulfur-containing polythiophene cathode active material for reducing shuttle effect in lithium sulfur battery.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2025.117376]