Sodium 1-propanethiolate - ≥90% , CAS No.6898-84-6

CAS: 6898-84-6 Cat. No.: S330727 Summenformel: C₃H₇NaS Molekulargewicht: 98.14 EG-Nummer: 230-005-5 PubChem CID: 4681725

GRADE & PURITY ≥90%

Synonyms

1-Propanethiol, sodium salt (1:1) | EINECS 230-005-5 | Sodium 1-propanethiolate | SODIUM1-PROPANETHIOLATE | Sodium 1-propanethiolate, technical, >=95% (RT) | sodium;propane-1-thiolate | sodium propane-1-thiolate | AKOS034830295 | FT-0695249 | 1-Propanethi

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

Salts of alkanethiols are versatile intermediates for the synthesis of various thiol esters and thio ethers. In contrast to the stenchy gaseous or liquid thiols, the salts are easy to handle solids.; Alkanethiolates are strong nucleophiles and thus efficient reagents for SN2 type dealkylations of hindered esters and lactones. Dealkylation of aryl methyl ethers.

Specifications

Synonyme

1-Propanethiol, sodium salt (1:1) | EINECS 230-005-5 | Sodium 1-propanethiolate | SODIUM1-PROPANETHIOLATE | Sodium 1-propanethiolate, technical, >=95% (RT) | sodium;propane-1-thiolate | sodium propane-1-thiolate | AKOS034830295 | FT-0695249 | 1-Propanethi

Spezifikationen & Reinheit

≥90%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥90%

Namen und Kennungen

• Pubchem Sid: 488194960
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194960
• Kanonisches Lächeln: CCC[S-].[Na+]
• IUPAC Name: sodium;propane-1-thiolate
• InChIKey: XVSFHIIADLZQJP-UHFFFAOYSA-M
• INCHI: 1S/C3H8S.Na/c1-2-3-4;/h4H,2-3H2,1H3;/q;+1/p-1
• Isomere SMILES: CCC[S-].[Na+]
• PubChem CID: 4681725
• UN-Nummer: 3263
• Verpackungsgruppe: III
• Molekulargewicht: 98.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Klasse Organic metal salts
      • Subclass Organic alkali metal salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Klasse: Organic metal salts
• Subclass: Organic alkali metal salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic alkali metal salts
• Alternative Parents: Organosulfur compounds Organic sodium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic alkali metal salt - Hydrocarbon derivative - Organic sodium salt - Organosulfur compound - Organic cation - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as organic alkali metal salts. These are organic salts of an alkali metal. The alkali metal atom is usually in its ionic form.
• 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

• Empfindlichkeit: Hygroscopic；Moisture sensitive
• Molekulargewicht: 98.140 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 98.0166 Da
• Monoisotopic Mass: 98.0166 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 10.900
• 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

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