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tert-Butyl 2-mercaptoacetate - 95%, high purity , CAS No.20291-99-0

COA

Grade & Purity:

≥95%

Cas Number: 20291-99-0
Molecular Weight: 148.23
EC Number: ‘817-741-8
PubChem CID: 11355565

In stock

Item Number

T588001

Grouped product items
SKU	Size	Availability	Price
T588001-250mg	250mg	3	$99.90
T588001-1g	1g	3	$246.90
T588001-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$859.90

Basic Description

Synonyms	tert-butyl thioglycolate \| EN300-139188 \| tert-butyl 2-mercaptoacetate \| tert-butyl2-mercaptoacetate \| t-butyl 2-mercaptoacetate \| YXIMCNGUIIEJMO-UHFFFAOYSA-N \| MFCD25960778 \| DTXSID301347658 \| BS-13182 \| Tert-butyl 2-sulfanylacetate \| thioglycolic acid t
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Desiccated
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 Carboxylic acid derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Carboxylic acid esters
Alternative Parents	Monocarboxylic acids and derivatives Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Carboxylic acid ester - Monocarboxylic acid or derivatives - Alkylthiol - 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 carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester 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	tert-butyl 2-sulfanylacetate
INCHI	InChI=1S/C6H12O2S/c1-6(2,3)8-5(7)4-9/h9H,4H2,1-3H3
InChIKey	YXIMCNGUIIEJMO-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)CS
Isomeric SMILES	CC(C)(C)OC(=O)CS
PubChem CID	11355565
Molecular Weight	148.23

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
H2303960	Certificate of Analysis	Jul 17, 2023	T588001
H2303967	Certificate of Analysis	Jul 17, 2023	T588001
H2303966	Certificate of Analysis	Jul 17, 2023	T588001

Chemical and Physical Properties

Molecular Weight	148.230 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	148.056 Da
Monoisotopic Mass	148.056 Da
Topological Polar Surface Area	27.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	104.000
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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