acide 2-(éthoxythioxométhylthio)propionique - ≥95% , CAS No.51440-83-6

CAS: 51440-83-6 Cat. No.: E400668 Formule: C₆H₁₀O₃S₂ Poids moléculaire: 194.3 Numéro CE: 973-826-0

GRADE & PURITY ≥95%

Synonyms

51440-83-6|2-(Ethoxythioxométhylthio)acide propionique|2-ethoxycarbothioylsulfanylpropanoïque|2-((Ethoxycarbonothioyl)thio)acide propanoïque|Acide propanoïque,2-[(Ethoxythioxométhyl)thio]-|2-[(Ethoxyméthanethioyl)sulfanyl]acide propanoïque|SCHEMBL264599|D

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

51440-83-6 | 2-(Ethoxythioxométhylthio)acide propionique | 2-ethoxycarbothioylsulfanylpropanoïque | 2-((Ethoxycarbonothioyl)thio)acide propanoïque | Acide propanoïque,2-[(Ethoxythioxométhyl)thio]- | 2-[(Ethoxyméthanethioyl)sulfanyl]acide propanoïque | SCHEMBL264599 | D

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Pubchem Sid

488200325

Sourires canoniques

CCOC(=S)SC(C)C(=O)O

IUPAC Name

2-ethoxycarbothioylsulfanylpropanoic acid

InChIKey

LWNPIVOFJQQAMH-UHFFFAOYSA-N

INCHI

1S/C6H10O3S2/c1-3-9-6(10)11-4(2)5(7)8/h4H,3H2,1-2H3,(H,7,8)

Isomères SMILES

CCOC(=S)SC(C)C(=O)O

Poids moléculaire

194.3

Reaxy-Rn

1725200

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1725200&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: Fatty acids and conjugates
• Alternative Parents: Monothioacetals Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid - Monothioacetal - Sulfenyl compound - 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 fatty acids and conjugates. These are aliphatic monocarboxylic acids with a saturated or unsaturated aliphatic tail (with at least 4 Carbon atoms).
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 194.300 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 194.007 Da
• Monoisotopic Mass: 194.007 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 158.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 51440-83-6, the molecular formula is C6H10O3S2, and the molecular weight is 194.3 g/mol. InChIKey LWNPIVOFJQQAMH-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.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.