3,3'-(Propane-2,2-diylbis(sulfanediyl))dipropionic acid - ≥96% , CAS No.4265-59-2

CAS: 4265-59-2 Cat. No.: P665388 Peso molecular: 252.35 PubChem CID: 248457

GRADE & PURITY ≥96%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(SCCC(=O)O)SCCC(=O)O
• IUPAC Name: 3-[2-(2-carboxyethylsulfanyl)propan-2-ylsulfanyl]propanoic acid
• InChIKey: QMHSRLRLGYJODR-UHFFFAOYSA-N
• INCHI: 1S/C9H16O4S2/c1-9(2,14-5-3-7(10)11)15-6-4-8(12)13/h3-6H2,1-2H3,(H,10,11)(H,12,13)
• Isómeros SMILES: CC(C)(SCCC(=O)O)SCCC(=O)O
• PubChem CID: 248457
• Peso molecular: 252.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioacetals
      • Subclass Dithioacetals

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioacetals
• Subclass: Dithioacetals
• Intermediate Tree Nodes: Not available
• Direct Parent: Dithioketals
• Alternative Parents: Fatty acids and conjugates Dicarboxylic acids and derivatives Sulfenyl compounds Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dithioketal - Fatty acid - Dicarboxylic acid or derivatives - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dithioketals. These are compounds containing a dithioketal functional group with the general structure R2C(SR')2 with R, R' = organyl.
• 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

• Peso molecular: 252.400 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 252.049 Da
• Monoisotopic Mass: 252.049 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 206.000
• 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

Referencias

1. Yu Chen, Zhentan Lu, Dong Wang.  (2024)  Multifunctional Nanoplatform for Single NIR Laser-Regulated Efficient PDT/PTT/Chemotherapy.  BIOMACROMOLECULES,      [PMID:38242167] [10.1021/acs.biomac.3c01100]

2. Yu Chen, Zhentan Lu, Dong Wang.  (2026)  Mitochondrial Targeted Composite Nanoplatform Activated by a Single NIR Laser for Enhanced Synergistic PTT, PDT, and Chemotherapy.  BIOMACROMOLECULES,      [PMID:41664484] [10.1021/acs.biomac.5c02643]