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Sodium 3-[[(Dimethylamino)thioxomethyl]thio]propanesulphonate - ≥98%, high purity , CAS No.18880-36-9

COA

Grade & Purity:

≥98%

Cas Number: 18880-36-9
Molecular Weight: 265.35
EC Number: 242-644-7
PubChem CID: 23672320

In stock

Item Number

S731193

Grouped product items
SKU	Size	Availability	Price
S731193-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
S731193-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
S731193-5g	5g	2	$29.90
S731193-25g	25g	2	$47.90
S731193-100g	100g	1	$162.90
S731193-500g	500g	1	$617.90

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Organic building blocks (409)

Basic Description

Synonyms	Sodium 3-[[(dimethylamino)thioxomethyl]thio]propanesulphonate \| sodium 3-[(dimethylcarbamothioyl)sulfanyl]propane-1-sulfonate \| N,N-Dimethyldithiocarbamylpropylsulfonic acid, sodium salt \| Sodium 3-((dimethylcarbaothioyl)thio)propane-1-sulfonate
Specifications & Purity	≥98%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic sulfonic acids and derivatives
    - Subclass Organosulfonic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic sulfonic acids and derivatives
Subclass	Organosulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Organosulfonic acids
Alternative Parents	Sulfonyls Dithiocarbamic acid esters Alkanesulfonic acids Sulfenyl compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aliphatic acyclic compounds
Substituents	Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Dithiocarbamic acid ester - Sulfenyl compound - Organic alkali metal salt - Organonitrogen compound - Organosulfur compound - Organic sodium salt - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
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	sodium;3-(dimethylcarbamothioylsulfanyl)propane-1-sulfonate
INCHI	InChI=1S/C6H13NO3S3.Na/c1-7(2)6(11)12-4-3-5-13(8,9)10;/h3-5H2,1-2H3,(H,8,9,10);/q;+1/p-1
InChIKey	ALXDAYUOWUEKLS-UHFFFAOYSA-M
Smiles	CN(C)C(=S)SCCCS(=O)(=O)[O-].[Na+]
Isomeric SMILES	CN(C)C(=S)SCCCS(=O)(=O)[O-].[Na+]
Alternate CAS	18880-36-9
PubChem CID	23672320
Molecular Weight	265.35

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot Number	Certificate Type	Date	Item
I2412219	Certificate of Analysis	Sep 04, 2024	S731193
I2412221	Certificate of Analysis	Sep 04, 2024	S731193
I2412222	Certificate of Analysis	Sep 04, 2024	S731193
I2412223	Certificate of Analysis	Sep 04, 2024	S731193
I2412224	Certificate of Analysis	Sep 04, 2024	S731193
I2412225	Certificate of Analysis	Sep 04, 2024	S731193
I2412214	Certificate of Analysis	Sep 04, 2024	S731193
I2412220	Certificate of Analysis	Sep 04, 2024	S731193
I2412215	Certificate of Analysis	Sep 04, 2024	S731193
I2412216	Certificate of Analysis	Sep 04, 2024	S731193
I2412217	Certificate of Analysis	Sep 04, 2024	S731193
I2412218	Certificate of Analysis	Sep 04, 2024	S731193

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Chemical and Physical Properties

Molecular Weight	265.400 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	264.988 Da
Monoisotopic Mass	264.988 Da
Topological Polar Surface Area	126.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	260.000
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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