Methyl (Phenylthio)acetate - ≥97% , CAS No.17277-58-6

Name: Methyl (Phenylthio)acetate - ≥97% , CAS No.17277-58-6
Brand: Aladdin Scientific
SKU: M101824
Availability: InStock

CAS: 17277-58-6 Cat. No.: M101824 Molecular Weight: 182.24 EC Number: 670-927-9

COA

Skip to the end of the images gallery

Methyl (Phenylthio)acetate - ≥97% CAS No(17277-58-6) by Aladdin Scientific

Skip to the beginning of the images gallery

AVAILABLE TO ORDER

GRADE & PURITY ≥97%

Synonyms

AI3-26887 | CHEBI:194925 | P1334 | Methyl phenylsulfenylacetate | 2-(phenylthio)acetic acid methyl ester | AT-419/41782453 | Chloramine Fast Orange SE | J-521714 | A811445 | FT-0622540 | methyl2-(phenylthio)acetate | F0465-0057 | FT-0628347 | methyl 2-(ph

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid	488187733
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187733
Canonical Smiles	COC(=O)CSC1=CC=CC=C1
IUPAC Name	methyl 2-phenylsulfanylacetate
InChIKey	MUNSXQQODXYRKI-UHFFFAOYSA-N
INCHI	1S/C9H10O2S/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3
Isomeric SMILES	COC(=O)CSC1=CC=CC=C1
Molecular Weight	182.24
Reaxy-Rn	2047554
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047554&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioethers
    - Subclass Aryl thioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioethers
Subclass	Aryl thioethers
Intermediate Tree Nodes	Not available
Direct Parent	Aryl thioethers
Alternative Parents	Thiophenol ethers Alkylarylthioethers Benzene and substituted derivatives Methyl esters Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aryl thioether - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Sulfenyl compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl 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

3D Structure

Associated Targets(Human)

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
D2320671	Certificate of Analysis	Mar 30, 2023	M101824
D2320674	Certificate of Analysis	Mar 30, 2023	M101824
D2320679	Certificate of Analysis	Mar 30, 2023	M101824
D2320688	Certificate of Analysis	Mar 30, 2023	M101824
A2306196	Certificate of Analysis	Jan 11, 2023	M101824

Refractive Index	1.559
Flash Point(°F)	>110°(230°F)
Flash Point(°C)	>110°(230°F)
Boil Point(°C)	104-105°C/4mm
Molecular Weight	182.240 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	182.04 Da
Monoisotopic Mass	182.04 Da
Topological Polar Surface Area	51.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	141.000
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