2-Thiopheneethanol - ≥98% , CAS No.5402-55-1

CAS: 5402-55-1 Cat. No.: T107405 Summenformel: C₆H₈OS Molekulargewicht: 128.19 Beilstein Registry Number: 106985 EG-Nummer: 226-452-0 PubChem CID: 79400

GRADE & PURITY ≥98%

Synonyms

2-(thiophen-2-yl)ethyl alcohol | 2-(2-Hydroxyethyl)thiophene | P10012 | N-Butanoylglycine | 2-(thiophen-2-yl) ethanol | 2-THIOPHENETHANOL | EINECS 226-452-0 | Thiopheneethanol | InChI=1/C6H8OS/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2 | Q-102734 | T1021 | 2-Thio

Storage

Room temperature

Shipped In

Normal

Übersicht

Application：

2-Thiopheneethanol, is used as the antithrombotics thiophene chlorine match piperidine intermediates. It is also used as a ticlopidine Intermediate.

Specifications

Synonyme

2-(thiophen-2-yl)ethyl alcohol | 2-(2-Hydroxyethyl)thiophene | P10012 | N-Butanoylglycine | 2-(thiophen-2-yl) ethanol | 2-THIOPHENETHANOL | EINECS 226-452-0 | Thiopheneethanol | InChI=1/C6H8OS/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2 | Q-102734 | T1021 | 2-Thio

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488185723

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185723

Kanonisches Lächeln

C1=CSC(=C1)CCO

IUPAC Name

2-thiophen-2-ylethanol

InChIKey

VMJOFTHFJMLIKL-UHFFFAOYSA-N

INCHI

1S/C6H8OS/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2

Isomere SMILES

C1=CSC(=C1)CCO

WGK Deutschland

3

PubChem CID

79400

Molekulargewicht

128.19

Beilstein

106985

Reaxy-Rn

106985

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water,
• Brechungsindex: 1.551
• Flammpunkt (°F): 221 °F
• Flammpunkt (°C): 105 °C
• Siedepunkt (°C): 108-109°C
• Molekulargewicht: 128.190 g/mol
• XLogP3: 1.300
• 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

Häufig gestellte Fragen

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 room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 5402-55-1, the molecular formula is C6H8OS, and the molecular weight is 128.19 g/mol. InChIKey VMJOFTHFJMLIKL-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.