(Ethylsulfinyl)ethane - ≥98% , CAS No.70-29-1

CAS: 70-29-1 Cat. No.: E589941 Formula: C₄H₁₀OS Molecular Weight: 106.19 EC Number: ‘200-732-2

GRADE & PURITY ≥98%

Synonyms

1,1'-Sulphinylbisethane|1-ethylsulfinylethane|(ethylsulfinyl)ethane|(ethanesulfinyl)ethane|Diaethylsulfoxid [German]|ethylsulfinylethane|ETHYL SULFOXIDE|Ethane, 1,1'-sulfinylbis-|Ethanesulfinyl-ethane|Diethyl sulphoxide|Diethyl sulfoxide|Diethylsulfoxide|1-(ethylsulfinyl)ethane|1,1'-Sulfinylbis[ethane]|1,1'-Sulfinylbis(ethane)|Diaethylsulfoxid

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

1,1'-Sulphinylbisethane | 1-ethylsulfinylethane | (ethylsulfinyl)ethane | (ethanesulfinyl)ethane | Diaethylsulfoxid [German] | ethylsulfinylethane | ETHYL SULFOXIDE | Ethane, 1,1'-sulfinylbis- | Ethanesulfinyl-ethane | Diethyl sulphoxide | Diethyl sulfoxide | Diethylsulfoxide | 1-(ethylsulfinyl)ethane | 1,1'-Sulfinylbis[ethane] | 1,1'-Sul Show more

Specifications & Purity

≥98%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Pubchem Sid

504751043

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751043

Canonical Smiles

CCS(=O)CC

IUPAC Name

1-ethylsulfinylethane

InChIKey

CCAFPWNGIUBUSD-UHFFFAOYSA-N

INCHI

1S/C4H10OS/c1-3-6(5)4-2/h3-4H2,1-2H3

Isomeric SMILES

CCS(=O)CC

NSC Number

NSC Number': ['139125

Molecular Weight

106.19

Reaxy-Rn

1737649

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737649&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Sulfoxides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Sulfoxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfoxides
• Alternative Parents: Sulfinyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfoxide - Sulfinyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfoxides. These are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H).
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 106.190 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 106.045 Da
• Monoisotopic Mass: 106.045 Da
• Topological Polar Surface Area: 36.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 45.500
• 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