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

CAS: 5244-34-8 Cat. No.: D108026 Molecular Weight: 182.3 Beilstein Registry Number: 1739193 EC Number: 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

Overview

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

Specifications

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

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488185643
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185643
• Canonical Smiles: 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
• Isomeric SMILES: C(CSCCSCCO)O
• WGK Germany: 1
• Molecular Weight: 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
    • Class Thioethers
      • Subclass Dialkylthioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Boil Point(°C): 170°C
• Melt Point(°C): 63℃-67℃
• Molecular Weight: 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

References

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]