Cyanimidodithiocarbonic acid S-methyl ester S-potassium salt - ≥97% , CAS No.10191-61-4

CAS: 10191-61-4 Cat. No.: C300171 Molecular Weight: 170.29 EC Number: 671-374-6

GRADE & PURITY ≥97%

Synonyms

MFCD01763640 | Potassium methyl N-cyanocarbonodithioimidate | D74698 | AKOS027473610 | Cyanimidodithiocarbonic acid S-methyl ester S-potassium salt | Z1201621369 | potassium;N-cyano-1-methylsulfanylmethanimidothioate | BP-10005 | EN300-7465523 | FT-069523

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD01763640 | Potassium methyl N-cyanocarbonodithioimidate | D74698 | AKOS027473610 | Cyanimidodithiocarbonic acid S-methyl ester S-potassium salt | Z1201621369 | potassium;N-cyano-1-methylsulfanylmethanimidothioate | BP-10005 | EN300-7465523 | FT-069523

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CSC(=NC#N)[S-].[K+]
• IUPAC Name: potassium;N-cyano-1-methylsulfanylmethanimidothioate
• InChIKey: CKLNMNNPBUUYIQ-UHFFFAOYSA-M
• INCHI: 1S/C3H4N2S2.K/c1-7-3(6)5-2-4;/h1H3,(H,5,6);/q;+1/p-1
• Isomeric SMILES: CSC(=NC#N)[S-].[K+]
• Molecular Weight: 170.29
• Reaxy-Rn: 4722861
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4722861&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic alkali metal salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic alkali metal salts
• Alternative Parents: Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic zwitterions Organic potassium salts Imines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic potassium salt - Organic zwitterion - Organosulfur compound - Organonitrogen compound - Imine - Aliphatic acyclic compound
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): 214-216°
• Molecular Weight: 170.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 169.937 Da
• Monoisotopic Mass: 169.937 Da
• Topological Polar Surface Area: 62.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 124.000
• 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

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