Sodium propynesulfonate - 20% in water , CAS No.55947-46-1

CAS: 55947-46-1 Cat. No.: S300339 Formula: C₃H₃NaO₃S Peso molecolare: 142.1 Numero EC: 259-915-0 PubChem CID: 23673600

GRADE & PURITY 20% in water

Synonyms

EINECS 259-915-0 | sodium prop-2-yne-1-sulfonate | sodium propargyl sulfonate | Sodium 2-propyne-1-sulphonate | SCHEMBL1177705 | 2-Propyne-1-sulfonic acid, sodium salt | propynesulfonic acid sodium salt | sodiumprop-2-yne-1-sulfonate | AKOS006228899 | sod

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

EINECS 259-915-0 | sodium prop-2-yne-1-sulfonate | sodium propargyl sulfonate | Sodium 2-propyne-1-sulphonate | SCHEMBL1177705 | 2-Propyne-1-sulfonic acid, sodium salt | propynesulfonic acid sodium salt | sodiumprop-2-yne-1-sulfonate | AKOS006228899 | sod

Specifiche e purezza

20% in water

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

Pubchem Sid

488200468

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488200468

Sorrisi canonici

C#CCS(=O)(=O)[O-].[Na+]

IUPAC Name

sodium;prop-2-yne-1-sulfonate

InChIKey

LDHXNOAOCJXPAH-UHFFFAOYSA-M

INCHI

1S/C3H4O3S.Na/c1-2-3-7(4,5)6;/h1H,3H2,(H,4,5,6);/q;+1/p-1

Isomeri SMILES

C#CCS(=O)(=O)[O-].[Na+]

PubChem CID

23673600

Peso molecolare

142.1

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Acetylides Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Acetylide - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organic cation - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 142.110 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 141.97 Da
• Monoisotopic Mass: 141.97 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 178.000
• 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: 2

XLogP3