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

COA

Cas Number: 928-70-1
Molecular Weight: 202.4
PubChem CID: 23691977

In stock

Item Number

P669232

Grouped product items
SKU	Size	Availability	Price	Qty
P669232-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
P669232-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

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 XAN

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	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
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
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

Associated Targets(Human)

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	potassium;3-methylbutoxymethanedithioate
INCHI	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
InChIKey	CMXOFNZFIJEFDA-UHFFFAOYSA-M
Smiles	CC(C)CCOC(=S)[S-].[K+]
Isomeric SMILES	CC(C)CCOC(=S)[S-].[K+]
PubChem CID	23691977
Molecular Weight	202.4

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	202.400 g/mol
XLogP3
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 Å²
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

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