Potassium isopentyl dithiocarbonate , CAS No.928-70-1

CAS: 928-70-1 Cat. No.: P669232 Summenformel: C₆H₁₁KOS₂ Molekulargewicht: 202.4 EG-Nummer: 213-180-2 PubChem CID: 23691977

Synonyms

Potassium isopentyl dithiocarbonate|Potassium isoamyl xanthate|potassium;3-methylbutoxymethanedithioate|O-(3-Methylbutyl)carbonodithioate, potassium salt|Carbonodithioic acid, O-(3-methylbutyl) ester, potassium salt (1:1)|POTASSIUM ISOPENTYL XANTHATE|Potassium O-isoamyl xanthate|Potassium isopentyl xanthogenate|potassium O-isopentyl carbonodithioate|Carbonic acid, dithio-, O-isopentyl ester, potassium salt|Carbonodithioic acid, O-(3-methylbutyl) ester, potassium salt

Storage

Room temperature

Spezifikationen

Synonyme

Potassium isopentyl dithiocarbonate | Potassium isoamyl xanthate | potassium;3-methylbutoxymethanedithioate | O-(3-Methylbutyl)carbonodithioate, potassium salt | Carbonodithioic acid, O-(3-methylbutyl) ester, potassium salt (1:1) | POTASSIUM ISOPENTYL XANTHATE | Potassium O-isoamyl xanthate | Potassium isopentyl xanthogenate | potassium O Show more

Storage

Room temperature

Namen und Kennungen

Kanonisches Lächeln

CC(C)CCOC(=S)[S-].[K+]

IUPAC Name

potassium;3-methylbutoxymethanedithioate

InChIKey

CMXOFNZFIJEFDA-UHFFFAOYSA-M

INCHI

1S/C6H12OS2.K/c1-5(2)3-4-7-6(8)9;/h5H,3-4H2,1-2H3,(H,8,9);/q;+1/p-1

Isomere SMILES

CC(C)CCOC(=S)[S-].[K+]

PubChem CID

23691977

Molekulargewicht

202.4

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 Organooxygen compounds Organic potassium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic alkali metal salt - Organic oxygen compound - Hydrocarbon derivative - Organic potassium salt - Organosulfur compound - Organooxygen 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

Zugehörige Ziele (menschlich)

CA1 Tclin Carbonic anhydrase 1 (1 Activities)

Discover Target: CA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase 2 (1 Activities)

Discover Target: CA2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA12 Tclin Carbonic anhydrase 12 (1 Activities)

Discover Target: CA12

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA9 Tclin Carbonic anhydrase 9 (1 Activities)

Discover Target: CA9

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA12 Tclin Carbonic anhydrase XII (6231 Activities)

Discover Target: CA12

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 202.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 201.989 Da
• Monoisotopic Mass: 201.989 Da
• Topological Polar Surface Area: 42.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.700
• 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