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

CAS: 3268-49-3 Cat. No.: M109548 Summenformel: C₄H₈OS Molekulargewicht: 104.17 Beilstein Registry Number: 1739289 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice,FedEx DG Service

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488182494

Pubchem Sid Url

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

Kanonisches Lächeln

CSCCC=O

IUPAC Name

3-methylsulfanylpropanal

InChIKey

CLUWOWRTHNNBBU-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

CSCCC=O

WGK Deutschland

1

RTECS

UE2285000

UN-Nummer

2785

Verpackungsgruppe

III

Molekulargewicht

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
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Aldehydes
          • Ebene6 Alpha-hydrogen aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

Zugehörige Ziele (nicht menschlich)

metG Methionyl-tRNA synthetase (123 Activities)

Discover Target: metG

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: It is readily soluble in alcohol solvents such as ethanol, propylene and glycol oil. It is insoluble in water.
• Empfindlichkeit: Air & heat sensitive
• Brechungsindex: 1.484-1.493
• Flammpunkt (°F): 61°C
• Flammpunkt (°C): 61°C
• Siedepunkt (°C): 165-166°C
• Molekulargewicht: 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