Potassium thioacetate - ≥98% , CAS No.10387-40-3

CAS: 10387-40-3 Cat. No.: P106179 Formula: C₂H₃KOS Molecular Weight: 114.21 Beilstein Registry Number: 4428862 EC Number: 233-848-7

GRADE & PURITY ≥98%

Synonyms

AFNBMGLGYSGFEZ-UHFFFAOYSA-M | AKOS015837812 | potassium ethanethioate | Potassium thioacetate | J-524035 | potassium;ethanethioate | Cyclohexanecarboxaldehyde, 1-butyl- | S-Potassium thioacetate | Ethanethioic acid, potassium salt | Thioacetic acid potass

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Reagent in the preparation of thiols from halides.

Specifications

Synonyms

AFNBMGLGYSGFEZ-UHFFFAOYSA-M | AKOS015837812 | potassium ethanethioate | Potassium thioacetate | J-524035 | potassium;ethanethioate | Cyclohexanecarboxaldehyde, 1-butyl- | S-Potassium thioacetate | Ethanethioic acid, potassium salt | Thioacetic acid potass

Specifications & Purity

≥98%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504769571
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769571
• Canonical Smiles: CC(=S)[O-].[K+]
• IUPAC Name: potassium;ethanethioate
• InChIKey: AFNBMGLGYSGFEZ-UHFFFAOYSA-M
• INCHI: 1S/C2H4OS.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
• Isomeric SMILES: CC(=S)[O-].[K+]
• WGK Germany: 3
• UN Number: 3335
• Molecular Weight: 114.21
• Beilstein: 4428862
• Reaxy-Rn: 969345
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969345&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids and derivatives
• Alternative Parents: Organosulfur compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic alkali metal salt - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organosulfur compound - Organooxygen compound - Carbonyl group - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acids and derivatives. These are compounds containing a carboxylic acid group with the formula -C(=O)OH or a derivative thereof.
• 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

Chemical and Physical Properties

• Solubility: Soluble in water, methanol and some polar solvents. Insoluble in alkanes, ethers and most nonpolar solvents.
• Sensitivity: Light sensitive.Moisture sensitive.Air Sensitive
• Melt Point(°C): 173-176°C
• Molecular Weight: 114.210 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 113.954 Da
• Monoisotopic Mass: 113.954 Da
• Topological Polar Surface Area: 55.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 36.600
• 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