3-(Methylthio)propionaldehyde - ≥98% , CAS No.3268-49-3

CAS: 3268-49-3 Cat. No.: M109548 Formula: C₄H₈OS Peso molecolare: 104.17 Beilstein Registry Number: 1739289 Numero EC: 221-882-5

GRADE & PURITY ≥98%

Synonyms

3-[Methylthio]propionaldehyde | 3-methylsulfanylpropanal | 3-Methylmercaptopropyl aldehyde | EN300-20267 | beta -(methylmercapto)propionaldehyde | methylmercaptopropionaldehyde | NSC 15874 | Propionaldehyde, 3-(methylthio)- | 3-(METHYLTHIO) PROPIONALDEHYD

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Panoramica

3-(Methylthio)propionaldehyde is the major product of chemical methionine conversion via Strecker degradation in food. It is a reactant involved in homolytic cross-coupling reactions, oxidative coupling and chemoselective oxidation, intermolecular alkyne hydroacylation reactions and oxxidation of sulfides to sulfoxides.
3-(Methylthio)propionaldehyde is used as biosynthetic precursor of ethylene1.

Specifications

Sinonimi

3-[Methylthio]propionaldehyde | 3-methylsulfanylpropanal | 3-Methylmercaptopropyl aldehyde | EN300-20267 | beta -(methylmercapto)propionaldehyde | methylmercaptopropionaldehyde | NSC 15874 | Propionaldehyde, 3-(methylthio)- | 3-(METHYLTHIO) PROPIONALDEHYD

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice,FedEx DG Service

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

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488182494

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182494

Sorrisi canonici

CSCCC=O

IUPAC Name

3-methylsulfanylpropanal

InChIKey

CLUWOWRTHNNBBU-UHFFFAOYSA-N

INCHI

1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3

Isomeri SMILES

CSCCC=O

WGK Germania

1

RTECS

UE2285000

Numero UN

2785

Gruppo di imballaggio

III

Peso molecolare

104.17

Beilstein

1739289

Reaxy-Rn

1739289

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739289&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Alpha-hydrogen aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Alpha-hydrogen aldehydes
• Alternative Parents: Sulfenyl compounds Dialkylthioethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-hydrogen aldehyde - Dialkylthioether - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group.
• External Descriptors: an organosulfur compound

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

Obiettivi associati (umani)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

Obiettivi associati (non umani)

metG Methionyl-tRNA synthetase (123 Activities)

Discover Target: metG

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: It is readily soluble in alcohol solvents such as ethanol, propylene and glycol oil. It is insoluble in water.
• Sensibilità: Air & heat sensitive
• Indice di rifrazione: 1.484-1.493
• Punto di infiammabilità (°F): 61°C
• Punto di infiammabilità (°C): 61°C
• Punto di ebollizione (°C): 165-166°C
• Peso molecolare: 104.170 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 104.03 Da
• Monoisotopic Mass: 104.03 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 36.500
• 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