Calcium Methanesulfonate - ≥98% , CAS No.58131-47-8

CAS: 58131-47-8 Cat. No.: C153701 Summenformel: C₂H₆CaO₆S₂ Molekulargewicht: 230.26

GRADE & PURITY ≥98%

Synonyms

Calcium Methanesulfonate | AKOS015852463 | M0549 | calcium;methanesulfonate | Methanesulfonic acid, calcium salt | D91356 | FT-0601950 | METHANESULFONICACIDCALCIUMSALT | calcium dimethanesulfonate | DTXSID40558358 | MFCD00070543 | SCHEMBL587726 | Methanes

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Calcium Methanesulfonate | AKOS015852463 | M0549 | calcium;methanesulfonate | Methanesulfonic acid, calcium salt | D91356 | FT-0601950 | METHANESULFONICACIDCALCIUMSALT | calcium dimethanesulfonate | DTXSID40558358 | MFCD00070543 | SCHEMBL587726 | Methanes

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488198626

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198626

Kanonisches Lächeln

CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Ca+2]

IUPAC Name

calcium;methanesulfonate

InChIKey

BWEYVLQUNDGUEC-UHFFFAOYSA-L

INCHI

1S/2CH4O3S.Ca/c2*1-5(2,3)4;/h2*1H3,(H,2,3,4);/q;;+2/p-2

Isomere SMILES

CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Ca+2]

Molekulargewicht

230.26

Reaxy-Rn

3915207

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3915207&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Organic calcium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic calcium salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organic cation - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• 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

• Molekulargewicht: 230.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 229.923 Da
• Monoisotopic Mass: 229.923 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 79.200
• 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: 3

XLogP3