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

CAS: 10387-40-3 Cat. No.: P106179 분자식: C₂H₃KOS 분자량: 114.21 Beilstein Registry Number: 4428862 EC 번호: 233-848-7

등급 & 순도 ≥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

개요

Reagent in the preparation of thiols from halides.

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

504769571

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769571

정식 스마일

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

이성체 SMILES

CC(=S)[O-].[K+]

WGK 독일

3

UN 번호

3335

분자량

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
    • 분류 Carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in water, methanol and some polar solvents. Insoluble in alkanes, ethers and most nonpolar solvents.
• 감도: Light sensitive.Moisture sensitive.Air Sensitive
• 녹는점(°C): 173-176°C
• 분자량: 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