3-Ethyl-2-thioxo-4-oxazolidinone - ≥97% , CAS No.10574-66-0

CAS: 10574-66-0 Cat. No.: E468552 Formula: C₅H₇NO₂S Peso molecolare: 145.18

GRADE & PURITY ≥97%

Synonyms

4-Oxazolidinone, 3-ethyl-2-thioxo- | SCHEMBL181978 | 2,4-Oxazolidinedione, 3-ethyl-2-thio- | 3-ethyl-2-sulfanylidene-4-oxazolidinone | 3-Ethyl-2-thioxo-4-oxazolidinone | AKOS015916271 | 3-Ethyl-2-thioxotetrahydro-4-oxazolone | 4-Oxazolidinone,3-ethyl-2-th

Storage

Room temperature

Panoramica

Description

3-Ethyl-2-thioxo-4-oxazolidinone may be used in chemical synthesis.

Specifications

Sinonimi

4-Oxazolidinone, 3-ethyl-2-thioxo- | SCHEMBL181978 | 2,4-Oxazolidinedione, 3-ethyl-2-thio- | 3-ethyl-2-sulfanylidene-4-oxazolidinone | 3-Ethyl-2-thioxo-4-oxazolidinone | AKOS015916271 | 3-Ethyl-2-thioxotetrahydro-4-oxazolone | 4-Oxazolidinone,3-ethyl-2-th

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CCN1C(=O)COC1=S

IUPAC Name

3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one

InChIKey

ZILKBTSQUZJHOI-UHFFFAOYSA-N

INCHI

1S/C5H7NO2S/c1-2-6-4(7)3-8-5(6)9/h2-3H2,1H3

Isomeri SMILES

CCN1C(=O)COC1=S

WGK Germania

3

Peso molecolare

145.18

Reaxy-Rn

121233

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121233&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azolidines
      • Subclass Oxazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azolidines
• Subclass: Oxazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxazolidinones
• Alternative Parents: Thiocarbamic acid esters Oxacyclic compounds Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxazolidinone - Thiocarbamic acid ester - Thiocarbamic acid derivative - Carboxylic acid derivative - Azacycle - Oxacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as oxazolidinones. These are compounds containing an oxazolidinone moiety, which is an oxazolidine bearing a ketone 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Peso molecolare: 145.180 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 145.02 Da
• Monoisotopic Mass: 145.02 Da
• Topological Polar Surface Area: 61.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 157.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 10574-66-0, the molecular formula is C5H7NO2S, and the molecular weight is 145.18 g/mol. InChIKey ZILKBTSQUZJHOI-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.