3-Methoxythiophene - ≥98% , CAS No.17573-92-1

CAS: 17573-92-1 Cat. No.: M103169 Formula: C₅H₆OS Molecular Weight: 114.17 Beilstein Registry Number: 106404 EC Number: 479-350-5

GRADE & PURITY ≥98%

Synonyms

3-Methoxythiophene # | BIDD:GT0411 | A812110 | MFCD00043894 | SCHEMBL181787 | Q-101199 | 3-Methoxythiophene | 3-methoxy-thiophene | EN300-111850 | FT-0616021 | AS-38007 | M1093 | AKOS005255184 | AMY23252 | AC-4908 | InChI=1/C5H6OS/c1-6-5-2-3-7-4-5/h2-4H,1

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

It is a thiophene. The intramolecular and intermolecular geometries of crystals of 3-methoxythiophene were studied. Spectroscopic studies of bipolarons derived from oligomerized 3-methoxythiophene in solution has been reported. The electropolymerization of 3-methoxythiophene on Pt and Fe electrodes in an aqueous micellar medium containing sodium dodecyl sulfate and 10-3M bithiophene has been reported. Thin polymer films of 3-methoxythiophene at the cathode in a direct current discharge have been prepared.

Specifications

Synonyms

3-Methoxythiophene # | BIDD:GT0411 | A812110 | MFCD00043894 | SCHEMBL181787 | Q-101199 | 3-Methoxythiophene | 3-methoxy-thiophene | EN300-111850 | FT-0616021 | AS-38007 | M1093 | AKOS005255184 | AMY23252 | AC-4908 | InChI=1/C5H6OS/c1-6-5-2-3-7-4-5/h2-4H,1

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

488188072

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188072

Canonical Smiles

COC1=CSC=C1

IUPAC Name

3-methoxythiophene

InChIKey

RFSKGCVUDQRZSD-UHFFFAOYSA-N

INCHI

1S/C5H6OS/c1-6-5-2-3-7-4-5/h2-4H,1H3

Isomeric SMILES

COC1=CSC=C1

WGK Germany

3

UN Number

1993

Molecular Weight

114.17

Beilstein

106404

Reaxy-Rn

106404

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106404&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Thiophenes Heteroaromatic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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&Heat sensitive
• x_refractive_index: 1.532
• x_flash_point_drop_fahrenheit: 120.2 °F
• x_flash_point_drop_centigrade: 49 °C
• x_boil_point_char: 82°C
• Molecular Weight: 114.170 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 114.014 Da
• Monoisotopic Mass: 114.014 Da
• Topological Polar Surface Area: 37.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 56.000
• 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

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 17573-92-1, the molecular formula is C5H6OS, and the molecular weight is 114.17 g/mol. InChIKey RFSKGCVUDQRZSD-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.