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Dibutyl 2,2'-thiodiacetate - 98%, high purity , CAS No.4121-12-4

COA

Grade & Purity:

≥98%

Cas Number: 4121-12-4
Molecular Weight: 262.37
EC Number: ‘223-914-3
PubChem CID: 77768

In stock

Item Number

D589063

Grouped product items
SKU	Size	Availability	Price	Qty
D589063-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10.90
D589063-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90

Basic Description

Synonyms	Dibutyl thiodiacetate \| Thiodiglycollic acid dibutyl ester \| BS-48855 \| EINECS 223-914-3 \| DTXSID90194129 \| Acetic acid, thiodi-, dibutyl ester \| Dibutyl 2,2'-thiodiacetate \| F71208 \| FT-0659949 \| butyl 2-(2-butoxy-2-oxoethyl)sulfanylacetate \| butyl 2-(2-
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Dicarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Dicarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Thiodiacetic acid derivatives
Alternative Parents	Carboxylic acid esters Sulfenyl compounds Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Thiodiacetic_acid - Carboxylic acid ester - Dialkylthioether - Sulfenyl compound - Thioether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as thiodiacetic acid derivatives. These are compounds containing a thiodiacetic acid group (or esters/salts thereof) which is made up of two 2-sulfanylacetic (OC(=O)CS) acid moieties sharing their sulfur 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	butyl 2-(2-butoxy-2-oxoethyl)sulfanylacetate
INCHI	InChI=1S/C12H22O4S/c1-3-5-7-15-11(13)9-17-10-12(14)16-8-6-4-2/h3-10H2,1-2H3
InChIKey	RIQXZINBEMXOOE-UHFFFAOYSA-N
Smiles	CCCCOC(=O)CSCC(=O)OCCCC
Isomeric SMILES	CCCCOC(=O)CSCC(=O)OCCCC
Molecular Weight	262.37
Reaxy-Rn	1792468
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1792468&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	262.370 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Exact Mass	262.124 Da
Monoisotopic Mass	262.124 Da
Topological Polar Surface Area	77.900 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	197.000
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	1

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