Sodium 1-methyl 3-sulfinopropanoate - ≥96% , CAS No.90030-48-1

CAS: 90030-48-1 Cat. No.: S139412 Peso molecular: 174.15 Número EC: 805-005-9 PubChem CID: 23665669

GRADE & PURITY ≥96%

Synonyms

S0934 | FT-0651009 | F16696 | sodium3-methyoxy-3-oxopropane-1-sulfinate | Propanoic acid,3-sulfino-,1-methyl ester,sodium salt(1:1) | C4H7NaO4S | (3-methoxy-3-oxo-propyl)sulfinyloxysodium | EN300-722486 | A860928 | DTXSID40635411 | Sodium 3-methoxy-3-oxop

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

S0934 | FT-0651009 | F16696 | sodium3-methyoxy-3-oxopropane-1-sulfinate | Propanoic acid, 3-sulfino-, 1-methyl ester, sodium salt(1:1) | C4H7NaO4S | (3-methoxy-3-oxo-propyl)sulfinyloxysodium | EN300-722486 | A860928 | DTXSID40635411 | Sodium 3-methoxy-3-oxop

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504769508
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769508
• Sonrisas canónicas: COC(=O)CCS(=O)[O-].[Na+]
• IUPAC Name: sodium;3-methoxy-3-oxopropane-1-sulfinate
• InChIKey: YICFALDKKMHFLT-UHFFFAOYSA-M
• INCHI: 1S/C4H8O4S.Na/c1-8-4(5)2-3-9(6)7;/h2-3H2,1H3,(H,6,7);/q;+1/p-1
• Isómeros SMILES: COC(=O)CCS(=O)[O-].[Na+]
• WGK Alemania: 3
• PubChem CID: 23665669
• Peso molecular: 174.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Methyl esters
• Alternative Parents: Alkanesulfinic acids Monocarboxylic acids and derivatives Organosulfur compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl ester - Sulfinic acid derivative - Alkanesulfinic acid or derivatives - Alkanesulfinic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organic salt - Organic sodium salt - Organic cation - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 199-216°C(decomposition)
• Peso molecular: 174.150 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 173.996 Da
• Monoisotopic Mass: 173.996 Da
• Topological Polar Surface Area: 85.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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: 2

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