Name: Sodium 2-propanesulfonate monohydrate - ≥97% , CAS No.304851-99-8
Brand: Aladdin Scientific
SKU: S129115
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Clase	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 sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organic cation - Aliphatic acyclic compound
Descripción	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
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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	164.160 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	164.012 Da
Monoisotopic Mass	164.012 Da
Topological Polar Surface Area	66.600 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	131.000
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	3

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	CC(C)S(=O)(=O)[O-].O.[Na+]
IUPAC Name	sodium;propane-2-sulfonate;hydrate
InChIKey	GZPDXHNILFWYEV-UHFFFAOYSA-M
INCHI	1S/C3H8O3S.Na.H2O/c1-3(2)7(4,5)6;;/h3H,1-2H3,(H,4,5,6);;1H2/q;+1;/p-1
Isómeros SMILES	CC(C)S(=O)(=O)[O-].O.[Na+]
WGK Alemania	3
PubChem CID	23676759
Peso molecular	164.16
Beilstein	3714778

Sodium 2-propanesulfonate monohydrate - ≥97% , CAS No.304851-99-8

Specifications