3,6-Dithia-1,8-octanediol - ≥97% , CAS No.5244-34-8

CAS: 5244-34-8 Cat. No.: D108026 Peso molecular: 182.3 Beilstein Registry Number: 1739193 Número EC: 226-045-8

GRADE & PURITY ≥97%

Synonyms

Z56799438 | KBC80263G6 | 1,1-Dimethoxy acetone | D95286 | MFCD00002911 | 2-((2-[(2-Hydroxyethyl)sulfanyl]ethyl)sulfanyl)ethanol # | AB01325083-02 | 2,2'-[1,2-Ethanediylbis(thio)]bisethanol | DITHIOTRIETHYLENE GLYCOL | Lindlar Catalyst Poison

Storage

Room temperature

Shipped In

Normal

Descripción general

3,6-Dithia-1,8-octanediol is a secondary sulfur-based catalyst poison.

Specifications

Sinónimos

Z56799438 | KBC80263G6 | 1, 1-Dimethoxy acetone | D95286 | MFCD00002911 | 2-((2-[(2-Hydroxyethyl)sulfanyl]ethyl)sulfanyl)ethanol # | AB01325083-02 | 2, 2'-[1, 2-Ethanediylbis(thio)]bisethanol | DITHIOTRIETHYLENE GLYCOL | Lindlar Catalyst Poison

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488185643
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185643
• Sonrisas canónicas: C(CSCCSCCO)O
• IUPAC Name: 2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]ethanol
• InChIKey: PDHFSBXFZGYBIP-UHFFFAOYSA-N
• INCHI: 1S/C6H14O2S2/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
• Isómeros SMILES: C(CSCCSCCO)O
• WGK Alemania: 1
• Peso molecular: 182.3
• Beilstein: 1739193
• Reaxy-Rn: 1739193
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739193&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Dialkylthioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Dialkylthioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkylthioethers
• Alternative Parents: Sulfenyl compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylthioether - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups.
• 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

• Solubilidad: Soluble in Methanol
• Punto de ebullición (°C): 170°C
• Punto de fusión (°C): 63℃-67℃
• Peso molecular: 182.300 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 182.044 Da
• Monoisotopic Mass: 182.044 Da
• Topological Polar Surface Area: 91.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 53.700
• 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

Referencias

1. Lingfeng Shen, Shanjun Mao, Jianqing Li, Mingming Li, Ping Chen, Haoran Li, Zhirong Chen, Yong Wang.  (2017)  PdZn intermetallic on a CN@ZnO hybrid as an efficient catalyst for the semihydrogenation of alkynols.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2017.01.021]

2. Jingjing Bai, Yan Zhai, Xin Li, Mingzheng Hao, Weijie Ren, Maoyong He, Zhenzhong Li.  (2025)  Refractive index dependent photoelectric properties of carbon dots based luminescent solar concentrators.  OPTICAL MATERIALS,      [PMID:] [10.1016/j.optmat.2025.117301]