3-Ethylrhodanine - ≥98%(GC) , CAS No.7648-01-3

CAS: 7648-01-3 Cat. No.: E156182 Formule: C₅H₇NOS₂ Poids moléculaire: 161.24 Beilstein Registry Number: 27(1)309 Numéro CE: 231-603-9

GRADE & PURITY ≥98%(GC)

Synonyms

3-ethyl-2-thioxo-1,3-thiazolan-4-one | STK348630 | A851210 | EN300-19089 | 3-ethyl-2-thioxo-thiazolidin-4-one | 3-Ethyl-2-thioxothiazolidin-4-one | 2-thioxo-3-ethyl-4-thiazolidinone | 3-ethyl-2-sulfanylidene-4-thiazolidinone | 3-Ethylrhodamine | WLN: T5SY

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

3-ethyl-2-thioxo-1,3-thiazolan-4-one | STK348630 | A851210 | EN300-19089 | 3-ethyl-2-thioxo-thiazolidin-4-one | 3-Ethyl-2-thioxothiazolidin-4-one | 2-thioxo-3-ethyl-4-thiazolidinone | 3-ethyl-2-sulfanylidene-4-thiazolidinone | 3-Ethylrhodamine | WLN: T5SY

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 504755576
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755576
• Sourires canoniques: CCN1C(=O)CSC1=S
• IUPAC Name: 3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
• InChIKey: UPCYEFFISUGBRW-UHFFFAOYSA-N
• INCHI: 1S/C5H7NOS2/c1-2-6-4(7)3-9-5(6)8/h2-3H2,1H3
• Isomères SMILES: CCN1C(=O)CSC1=S
• RTECS: VI8092000
• Poids moléculaire: 161.24
• Beilstein: 27(1)309
• Reaxy-Rn: 121471
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121471&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azolidines
• Subclass: Thiazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazolidinethiones
• Alternative Parents: Cyclic dithiocarbamic acid esters Carboxylic acids and derivatives Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Thiazolidinethione - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiazolidinethiones. These are heterocyclic compounds containing a thiazolidinethione ring which bears one thioketone 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

Propriétés chimiques et physiques

• Sensibilité: air sensitive
• Point d'éclair (°F): 230°F
• Point d'éclair (°C): >110℃
• Point d'ébullition (°C): 128°C/4mmHg
• Point de fusion (°C): 36-40℃
• Poids moléculaire: 161.300 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 160.997 Da
• Monoisotopic Mass: 160.997 Da
• Topological Polar Surface Area: 77.700 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 7648-01-3, the molecular formula is C5H7NOS2, and the molecular weight is 161.24 g/mol. InChIKey UPCYEFFISUGBRW-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.