Bis(2-hydroxyethyl) Disulfide - ca. 50% in Water , CAS No.1892-29-1

CAS: 1892-29-1 Cat. No.: B298701 Fórmula: C₄H₁₀O₂S₂ Peso molecular: 154.24 Beilstein Registry Number: 1471 Número CE: 217-576-6

GRAU & PUREZA ca. 50% in Water

Synonyms

Tox21_302181 | 2,2'-Disulfanediylbis(ethan-1-ol) | MFCD00002906 | NSC33920 | NSC-33920 | USAF TH-9 | J-012208 | DTXSID4044404 | E82252 | 2,2'-Dithiodiethanol | 2,2-dithiodiethanol | 2-hydroxy ethyldisulfide | Hydroxyethyl disulfide | InChI=1/C4H10O2S2/c5-

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

Tox21_302181 | 2,2'-Disulfanediylbis(ethan-1-ol) | MFCD00002906 | NSC33920 | NSC-33920 | USAF TH-9 | J-012208 | DTXSID4044404 | E82252 | 2,2'-Dithiodiethanol | 2,2-dithiodiethanol | 2-hydroxy ethyldisulfide | Hydroxyethyl disulfide | InChI=1/C4H10O2S2/c5-

Especificações e pureza

ca. 50% in Water

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

Pubchem Sid

508812677

Sorrisos canónicos

C(CSSCCO)O

IUPAC Name

2-(2-hydroxyethyldisulfanyl)ethanol

InChIKey

KYNFOMQIXZUKRK-UHFFFAOYSA-N

INCHI

1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2

SMILES isoméricas

C(CSSCCO)O

RTECS

KK7525000

Peso molecular

154.24

Beilstein

1471

Reaxy-Rn

1735851

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735851&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Organic disulfides
      • Subclass Dialkyldisulfides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Organic disulfides
• Subclass: Dialkyldisulfides
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyldisulfides
• Alternative Parents: Sulfenyl compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyldisulfide - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dialkyldisulfides. These are organic compounds containing a disulfide group R-SS-R' where R and R' are both alkyl groups.
• External Descriptors: a small molecule

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

Propriedades químicas e físicas

• Índice de refração: 1.57
• Ponto de inflamação (°F): 233.6 °F
• Ponto de inflamação (°C): >110 ℃
• Ponto de ebulição (°C): 158-163℃
• Ponto de fusão (°C): 25℃
• Peso molecular: 154.300 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 154.012 Da
• Monoisotopic Mass: 154.012 Da
• Topological Polar Surface Area: 91.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 37.000
• 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