2,2′-Thiodiethanethiol - technical grade, ≥90% , CAS No.3570-55-6

CAS: 3570-55-6 Cat. No.: T477069 Fórmula: C₄H₁₀S₃ Peso molecular: 154.3 Beilstein Registry Number: 1(4)2455 Número EC: 222-671-0

GRADE & PURITY Technical grade, ≥90%

Synonyms

.beta.,.beta.'-Dimercaptoethyl sulfide | Ethanethiol, 2,2'-thiobis- | 2-(2-Sulfanylethylthio)ethane-1-thiol | Bis(mercaptoethyl) sulfide | FT-0691319 | OEU4AZC07S | 1-(2-Methylphenyl)urea | Bis(2-sulfanylethyl) sulfide | 2,2'-DIMERCAPTODIETHYL THIOETHER |

Storage

Room temperature

Specifications

Sinónimos

.beta.,.beta.'-Dimercaptoethyl sulfide | Ethanethiol, 2,2'-thiobis- | 2-(2-Sulfanylethylthio)ethane-1-thiol | Bis(mercaptoethyl) sulfide | FT-0691319 | OEU4AZC07S | 1-(2-Methylphenyl)urea | Bis(2-sulfanylethyl) sulfide | 2,2'-DIMERCAPTODIETHYL THIOETHER |

Especificaciones y pureza

technical grade, ≥90%

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Grado técnico

Pureza

≥90%

Nombres e identificadores

• Sonrisas canónicas: C(CSCCS)S
• IUPAC Name: 2-(2-sulfanylethylsulfanyl)ethanethiol
• InChIKey: KSJBMDCFYZKAFH-UHFFFAOYSA-N
• INCHI: 1S/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2
• Isómeros SMILES: C(CSCCS)S
• Peso molecular: 154.3
• Beilstein: 1(4)2455
• Reaxy-Rn: 1445994
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1445994&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thiols
• Subclass: Alkylthiols
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylthiols
• Alternative Parents: Sulfenyl compounds Dialkylthioethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylthioether - Sulfenyl compound - Thioether - Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.
• 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

• Índice de refracción: 1.5961
• Punto de inflamación (°F): 90°C(lit.)
• Punto de inflamación (°C): 90°C(lit.)
• Punto de ebullición (°C): 135-136 °C
• Punto de fusión (°C): -11 °C
• Peso molecular: 154.300 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 153.994 Da
• Monoisotopic Mass: 153.994 Da
• Topological Polar Surface Area: 27.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 26.100
• 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. Wei Wang, Minjuan Gong, Donghai Zhu, Mohammadtaghi Vakili, Zahra Gholami, Huanhuan Jiang, Shuangxi Zhou, Han Qu.  (2023)  Post-synthetic thiol modification of covalent organic frameworks for mercury(II) removal from water.  Environmental Science and Ecotechnology,      [PMID:36793397] [10.1016/j.ese.2023.100236]

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does technical grade mean?

technical grade indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3570-55-6, the molecular formula is C4H10S3, and the molecular weight is 154.3 g/mol. InChIKey KSJBMDCFYZKAFH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.