2-Acetylthiazole - ≥99% , CAS No.24295-03-2

CAS: 24295-03-2 Cat. No.: A124071 Formula: C₅H₅NOS Molecular Weight: 127.16 Beilstein Registry Number: 109803 EC Number: 246-134-5

GRADE & PURITY ≥99%

Synonyms

1-thiazol-2-yl-ethanone | Methyl 2-thiazolyl ketone, 8CI | 1-(1,3-Thiazol-2-yl)ethanone | Ethanone, 1-(2-thiazolyl)- | Ketone, methyl 2-thiazolyl | 1-(1,3-Thiazol-2-yl)ethan-1-one | 1-(Thiazol-2-yl)ethan-1-one

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

2-Acetylthiazole is useful for preparing triazolothiazoles, chiral alcohols, and in aldol condensation reactions.
Useful for preparation of triazolothiazoles,chiral alcohols,and in aldol condensation reactions.

Specifications

Synonyms

1-thiazol-2-yl-ethanone | Methyl 2-thiazolyl ketone, 8CI | 1-(1,3-Thiazol-2-yl)ethanone | Ethanone, 1-(2-thiazolyl)- | Ketone, methyl 2-thiazolyl | 1-(1,3-Thiazol-2-yl)ethan-1-one | 1-(Thiazol-2-yl)ethan-1-one

Specifications & Purity

≥99%

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

488190046

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190046

Canonical Smiles

CC(=O)C1=NC=CS1

IUPAC Name

1-(1,3-thiazol-2-yl)ethanone

InChIKey

MOMFXATYAINJML-UHFFFAOYSA-N

INCHI

1S/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3

Isomeric SMILES

CC(=O)C1=NC=CS1

WGK Germany

3

Molecular Weight

127.16

Beilstein

109803

Reaxy-Rn

109803

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109803&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl 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

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive & Moisture sensitive
• Refractive Index: 1.548
• Flash Point(°F): 172.4 °F
• Flash Point(°C): 78°C(Lit.)
• Boil Point(°C): 90°C/12mmHg
• Molecular Weight: 127.170 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 127.009 Da
• Monoisotopic Mass: 127.009 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 105.000
• 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 ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 24295-03-2, the molecular formula is C5H5NOS, and the molecular weight is 127.16 g/mol. InChIKey MOMFXATYAINJML-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.