2,2'-[Thiocarbonylbis(sulfanediyl)]bis(2-methylpropanoic Acid) - ≥98% , CAS No.355120-40-0

CAS: 355120-40-0 Cat. No.: C770348 Peso molecular: 282.39 Número EC: 815-383-7

GRADE & PURITY ≥98%

Synonyms

2,2'-[Carbonothioylbis(thio)]bis[2-methylpropanoic acid | 2,2'-[Thioxo(methylene)di(sulfanyl)]bis(2-methylpropanoic Acid) | S,S'-Bis(α,α-dimethyl-α''-acetic Acid)trithiocarbonate | 2,2'-[Carbonothioylbis(thio)]bis(2-methylpropanoic Acid)

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

2, 2'-[Carbonothioylbis(thio)]bis[2-methylpropanoic acid | 2, 2'-[Thioxo(methylene)di(sulfanyl)]bis(2-methylpropanoic Acid) | S, S'-Bis(α, α-dimethyl-α''-acetic Acid)trithiocarbonate | 2, 2'-[Carbonothioylbis(thio)]bis(2-methylpropanoic Acid)

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C(=O)O)SC(=S)SC(C)(C)C(=O)O
• IUPAC Name: 2-(2-carboxypropan-2-ylsulfanylcarbothioylsulfanyl)-2-methylpropanoic acid
• InChIKey: KFNUBPMMXWWWGU-UHFFFAOYSA-N
• INCHI: 1S/C9H14O4S3/c1-8(2,5(10)11)15-7(14)16-9(3,4)6(12)13/h1-4H3,(H,10,11)(H,12,13)
• Isómeros SMILES: CC(C)(C(=O)O)SC(=S)SC(C)(C)C(=O)O
• Peso molecular: 282.39

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Sulfenyl compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched fatty acid - Dicarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as branched fatty acids. These are fatty acids containing a branched chain.
• 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: Light, air and heat sensitive
• Peso molecular: 282.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 282.005 Da
• Monoisotopic Mass: 282.005 Da
• Topological Polar Surface Area: 157.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 293.000
• 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: 1