4-Methyl-1,3,2-dioxathiolane 2,2-Dioxide - ≥98% , CAS No.5689-83-8

CAS: 5689-83-8 Cat. No.: M158558 Summenformel: C₃H₆O₄S Molekulargewicht: 138.14 EG-Nummer: 806-954-1

GRADE & PURITY ≥98%

Synonyms

MFCD26131319 | PROPANE 1,2-CYCLIC SULFATE | 4-methyl-1,3,2-dioxathiolane 2,2-dioxide | SCHEMBL126250 | 1,3,2-Dioxathiolane,4-methyl-,2,2-dioxide | H10841 | EN300-1710177 | MFCD06795150 | 4-Methyl-1,3,2-dioxathiolane2,2-Dioxide | Propane-1,2-cyclic sulfate

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

MFCD26131319 | PROPANE 1,2-CYCLIC SULFATE | 4-methyl-1,3,2-dioxathiolane 2,2-dioxide | SCHEMBL126250 | 1,3,2-Dioxathiolane,4-methyl-,2,2-dioxide | H10841 | EN300-1710177 | MFCD06795150 | 4-Methyl-1,3,2-dioxathiolane2,2-Dioxide | Propane-1,2-cyclic sulfate

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508809639

Kanonisches Lächeln

CC1COS(=O)(=O)O1

IUPAC Name

4-methyl-1,3,2-dioxathiolane 2,2-dioxide

InChIKey

OQXNUCOGMMHHNA-UHFFFAOYSA-N

INCHI

1S/C3H6O4S/c1-3-2-6-8(4,5)7-3/h3H,2H2,1H3

Isomere SMILES

CC1COS(=O)(=O)O1

Molekulargewicht

138.14

Reaxy-Rn

3538009

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3538009&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Organic sulfuric acids and derivatives
      • Subclass Sulfuric acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Organic sulfuric acids and derivatives
• Subclass: Sulfuric acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfuric acid diesters
• Alternative Parents: Dioxathiolanes Alkyl sulfates Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Sulfuric acid diester - Alkyl sulfate - Dioxathiolane - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as sulfuric acid diesters. These are organic compounds containing the sulfuric acid diester functional group with the generic structure ROS(OR')(=O)=O, (R,R'=organyl group).
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Brechungsindex: 1.42
• Siedepunkt (°C): 50°C/0.1mmHg(lit.)
• Schmelzpunkt (°C): 88 °C
• Molekulargewicht: 138.140 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 137.999 Da
• Monoisotopic Mass: 137.999 Da
• Topological Polar Surface Area: 61.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 164.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1