Ethyl 3-amino-3-thioxopropanoate - ≥96% , CAS No.13621-50-6

CAS: 13621-50-6 Cat. No.: E190709 Formula: C₅H₉NO₂S Peso molecolare: 147.2 Numero EC: 696-618-9

GRADE & PURITY ≥96%

Synonyms

2-thiocarbamoylacetic acid ethyl ester | MFCD06245286 | AKOS000118357 | F20893 | IBHOWDPRDYMIMO-UHFFFAOYSA-N | ethyl 2-carbamothioylacetate | FT-0650720 | BS-13001 | HMS1736I10 | EN300-14241 | ethyl 3-amino-3-thioxopropionate | ethyl-3-amino-3-thioxopropa

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

2-thiocarbamoylacetic acid ethyl ester | MFCD06245286 | AKOS000118357 | F20893 | IBHOWDPRDYMIMO-UHFFFAOYSA-N | ethyl 2-carbamothioylacetate | FT-0650720 | BS-13001 | HMS1736I10 | EN300-14241 | ethyl 3-amino-3-thioxopropionate | ethyl-3-amino-3-thioxopropa

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥96%

Nomi e identificatori

Pubchem Sid

504761783

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761783

Sorrisi canonici

CCOC(=O)CC(=S)N

IUPAC Name

ethyl 3-amino-3-sulfanylidenepropanoate

InChIKey

IBHOWDPRDYMIMO-UHFFFAOYSA-N

INCHI

1S/C5H9NO2S/c1-2-8-5(7)3-4(6)9/h2-3H2,1H3,(H2,6,9)

Isomeri SMILES

CCOC(=O)CC(=S)N

Peso molecolare

147.2

Reaxy-Rn

1758871

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1758871&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioamides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioamides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioamides
• Alternative Parents: Carboxylic acid esters Thiocarboxylic acid amides Monocarboxylic acids and derivatives Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thioamide - Carboxylic acid ester - Thiocarboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Thiocarbonyl group - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as thioamides. These are organic compounds containing the functional group with the general structure R-CS-NR'R, where R, R', and R are organic groups.
• 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

• Sensibilità: Light sensitive
• Peso molecolare: 147.200 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 147.035 Da
• Monoisotopic Mass: 147.035 Da
• Topological Polar Surface Area: 84.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 124.000
• 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 ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, 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 13621-50-6, the molecular formula is C5H9NO2S, and the molecular weight is 147.2 g/mol. InChIKey IBHOWDPRDYMIMO-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.