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

CAS: 1892-29-1 Cat. No.: B298701 Summenformel: C₄H₁₀O₂S₂ Molekulargewicht: 154.24 Beilstein Registry Number: 1471 EG-Nummer: 217-576-6

QUALITÄT & REINHEIT 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

Spezifikationen

Synonyme

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-

Spezifikationen & Reinheit

ca. 50% in Water

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

Pubchem Sid

508812677

Kanonisches Lächeln

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

Isomere SMILES

C(CSSCCO)O

RTECS

KK7525000

Molekulargewicht

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
    • Klasse Organic disulfides
      • Subclass Dialkyldisulfides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.57
• Flammpunkt (°F): 233.6 °F
• Flammpunkt (°C): >110 ℃
• Siedepunkt (°C): 158-163℃
• Schmelzpunkt (°C): 25℃
• Molekulargewicht: 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