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Ethyl Phenylsulfinylacetate - >85.0%(GC), high purity , CAS No.54882-04-1

COA

Grade & Purity:

≥85%(GC)

Cas Number: 54882-04-1
Molecular Weight: 212.26
MDL number: MFCD00191677
PubChem CID: 10932761

In stock

Item Number

E156230

Grouped product items
SKU	Size	Availability	Price	Qty
E156230-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$43.90
E156230-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$167.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	AKOS009157537 \| D92077 \| SCHEMBL4908868 \| DTXSID50448832 \| AM87059 \| Phenylsulfinylacetic Acid Ethyl Ester \| P1135 \| A870330 \| ethyl 2-(phenylsulfinyl)acetate \| MFCD00191677 \| Ethyl 2-(benzenesulfinyl)acetate \| Ethyl Phenylsulfinylacetate \| PHENYLSULFINYL
Specifications & Purity	≥85%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenyl sulfoxides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenyl sulfoxides
Intermediate Tree Nodes	Not available
Direct Parent	Phenyl sulfoxides
Alternative Parents	Sulfoxides Carboxylic acid esters Sulfinyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenyl sulfoxide - Sulfoxide - Carboxylic acid ester - Sulfinyl compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenyl sulfoxides. These are organosulfur compounds containing a sulfoxide group substituted with a phenyl 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	ethyl 2-(benzenesulfinyl)acetate
INCHI	InChI=1S/C10H12O3S/c1-2-13-10(11)8-14(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey	HVVJMTVECSPOGD-UHFFFAOYSA-N
Smiles	CCOC(=O)CS(=O)C1=CC=CC=C1
Isomeric SMILES	CCOC(=O)CS(=O)C1=CC=CC=C1
Molecular Weight	212.26
Reaxy-Rn	2448199
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2448199&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Air Sensitive,Moisture Sensitive,Heat Sensitive
Refractive Index	1.55
Flash Point(°C)	171 °C
Boil Point(°C)	154°C/3mmHg(lit.)
Molecular Weight	212.270 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	212.051 Da
Monoisotopic Mass	212.051 Da
Topological Polar Surface Area	62.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	209.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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