3-(Methylthio)propionic Acid - 10mM in DMSO , CAS No.646-01-5

CAS: 646-01-5 Cat. No.: M425273 Formule: C₄H₈O₂S Poids moléculaire: 120.17 Numéro CE: 211-460-9

GRADE & PURITY 10mM in DMSO

Synonyms

3-methylsulfanylpropionic acid | 3-Methylsulfanyl-Propionic Acid | D87669 | SCHEMBL342851 | 3-(METHYLMERCAPTO)PROPANOIC ACID | 3-(Methylmercapto)propionic Acid | 3-methylsulfanylpropanoic acid | 3-METHYLTHIOPROPIONA | 3-methylthiopropionate | 3(methylthio

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonymes

3-methylsulfanylpropionic acid | 3-Methylsulfanyl-Propionic Acid | D87669 | SCHEMBL342851 | 3-(METHYLMERCAPTO)PROPANOIC ACID | 3-(Methylmercapto)propionic Acid | 3-methylsulfanylpropanoic acid | 3-METHYLTHIOPROPIONA | 3-methylthiopropionate | 3(methylthio

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Type d'action

INHIBITOR

Noms et identifiants

• Pubchem Sid: 528758288
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528758288
• Sourires canoniques: CSCCC(=O)O
• IUPAC Name: 3-methylsulfanylpropanoic acid
• InChIKey: CAOMCZAIALVUPA-UHFFFAOYSA-N
• INCHI: 1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
• Isomères SMILES: CSCCC(=O)O
• Poids moléculaire: 120.17
• Reaxy-Rn: 1743054
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743054&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Straight chain fatty acids
• Alternative Parents: Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Straight chain fatty acid - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
• External Descriptors: Thia fatty acids

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

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.4870 to 1.4910
• Point d'éclair (°F): 104°C
• Point d'éclair (°C): 104°C
• Point d'ébullition (°C): 130°C/15mmHg
• Point de fusion (°C): ca16°
• Poids moléculaire: 120.170 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 120.025 Da
• Monoisotopic Mass: 120.025 Da
• Topological Polar Surface Area: 62.600 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 62.700
• 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

Références

1. Hongling Fang, Yi Li, Songwei Zhang, Qi Ding, Litian Hu.  (2022)  Novel binary oil-soluble ionic liquids with high lubricating performance.  TRIBOLOGY INTERNATIONAL,      [PMID:] [10.1016/j.triboint.2022.107724]