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Tetrabutylphosphonium O,O-Diethyl Phosphorodithioate - >95.0%(T), high purity , CAS No.96131-57-6

COA

Grade & Purity:

≥95%(T)

Cas Number: 96131-57-6
Molecular Weight: 444.65
MDL number: MFCD04038051
PubChem CID: 22057053

In stock

Item Number

T405121

Grouped product items
SKU	Size	Availability	Price	Qty
T405121-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90
T405121-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$83.90

View related series

Phosphonium Salts [Ionic Liquids] (2)

Basic Description

Synonyms	Tetrabutylphosphanium O,O-diethyl phosphorodithioate \| MFCD04038051 \| CS-0378529 \| DTXSID50622110 \| TETRABUTYLPHOSPHONIUM O,O-DIETHYL PHOSPHORODITHIOATE \| diethoxy-sulfanylidene-sulfido-lambda5-phosphane;tetrabutylphosphanium \| T3946 \| SCHEMBL107932
Specifications & Purity	≥95%(T)
Storage Temp	Argon charged

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic dithiophosphoric acids and derivatives
    - Subclass Dithiophosphate O-esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic dithiophosphoric acids and derivatives
Subclass	Dithiophosphate O-esters
Intermediate Tree Nodes	Not available
Direct Parent	Phosphorodithioic acid O,O-diesters
Alternative Parents	Thiophosphoric acid esters Tetraalkylphosphonium compounds Organooxygen compounds Hydrocarbon derivatives Organic cations
Molecular Framework	Not available
Substituents	Phosphorodithioic acid o,o-diester - Organic thiophosphoric acid or derivatives - Thiophosphoric acid ester - Tetraalkylphosphonium compound - Organic oxygen compound - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organic cation - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as phosphorodithioic acid o,o-diesters. These are organooxygen compounds that contain a phosphorodithioic acid, which is O,O-disubstituted by an organyl group.
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

Names and Identifiers

IUPAC Name	diethoxy-sulfanylidene-sulfido-λ5-phosphane;tetrabutylphosphanium
INCHI	InChI=1S/C16H36P.C4H11O2PS2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-5-7(8,9)6-4-2/h5-16H2,1-4H3;3-4H2,1-2H3,(H,8,9)/q+1;/p-1
InChIKey	LYMYULOYDUWMOP-UHFFFAOYSA-M
Smiles	CCCC[P+](CCCC)(CCCC)CCCC.CCOP(=S)(OCC)[S-]
Isomeric SMILES	CCCC[P+](CCCC)(CCCC)CCCC.CCOP(=S)(OCC)[S-]
PubChem CID	22057053
Molecular Weight	444.65
Reaxy-Rn	20805714

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
G2402503	Certificate of Analysis	Feb 21, 2024	T405121
G2402505	Certificate of Analysis	Feb 21, 2024	T405121
G2402504	Certificate of Analysis	Feb 21, 2024	T405121
B2421128	Certificate of Analysis	Feb 04, 2024	T405121
B2421130	Certificate of Analysis	Feb 04, 2024	T405121
B2421131	Certificate of Analysis	Feb 04, 2024	T405121
B2421166	Certificate of Analysis	Feb 04, 2024	T405121

Chemical and Physical Properties

Sensitivity	Hygroscopic
Molecular Weight	444.700 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	16
Exact Mass	444.241 Da
Monoisotopic Mass	444.241 Da
Topological Polar Surface Area	51.600 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	215.000
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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