Cas no 6287-88-3 (Methyl 2-(2-methoxy-2-oxoethyl)thiobenzoate)

Methyl 2-(2-methoxy-2-oxoethyl)thiobenzoate is a sulfur-containing ester derivative with applications in organic synthesis and pharmaceutical intermediates. Its structure features a thiobenzoate moiety linked to a methoxycarbonylmethyl group, offering reactivity in nucleophilic and electrophilic transformations. The compound is valued for its versatility in constructing heterocyclic frameworks and as a precursor in thiol-based coupling reactions. Its stability under standard conditions and compatibility with common organic solvents enhance its utility in laboratory settings. The presence of both ester and thioether functional groups allows for selective modifications, making it a useful building block in medicinal chemistry and material science research.

Methyl 2-(2-methoxy-2-oxoethyl)thiobenzoate structure

6287-88-3 structure

Product Name:Methyl 2-(2-methoxy-2-oxoethyl)thiobenzoate

CAS No:6287-88-3

MF:C₁₁H₁₂O₄S

MW:240.275582313538

MDL:MFCD03855443

CID:958185

PubChem ID:223910

Update Time:2025-11-02

Methyl 2-(2-methoxy-2-oxoethyl)thiobenzoate Chemical and Physical Properties

Names and Identifiers

- methyl 2-[(2-methoxy-2-oxoethyl)sulfanyl]benzoate
- methyl 2-(2-methoxy-2-oxoethyl)sulfanylbenzoate
- [(S-Phenyl-thioglykolsaeure)-o-carbonsaeure]-dimethylester
- 2-Methoxycarbonylmethylmercapto-benzoesaeure-methylester
- 2-methoxycarbonylmethylsulfanyl-benzoic acid methyl ester
- AC1L5CWN
- AC1Q5ZBX
- benzoic acid, 2-[(2-methoxy-2-oxoethyl)thio]-, methyl ester
- methyl 2-((2-methoxy-2-oxoethyl)thio)benzoate
- methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate
- methyl 2-[2-(methoxycarbonyl)phenylthio]acetate
- NSC12011
- ST065799
- SureCN9661237
- Thio
- CHEMBL1450614
- DTXSID90279263
- Q27208734
- SR-01000296553-1
- HMS2475N09
- NSC-12011
- STK734844
- HMS1601G06
- CS-0315744
- MLS000100064
- AKOS003352136
- MFCD03855443
- 6287-88-3
- 2-[(2-methoxy-2-oxoethyl)thio]benzoic acid methyl ester
- LS-08440
- CHEBI:120604
- SR-01000296553
- SMR000081779
- SCHEMBL9661237
- Methyl 2-(2-methoxy-2-oxoethyl)thiobenzoate
- MDL： MFCD03855443
- Inchi： 1S/C11H12O4S/c1-14-10(12)7-16-9-6-4-3-5-8(9)11(13)15-2/h3-6H,7H2,1-2H3
- InChI Key： VXMQJUUBNSATNU-UHFFFAOYSA-N
- SMILES： S(CC(=O)OC)C1C=CC=CC=1C(=O)OC

Computed Properties

Exact Mass: 240.04566
Monoisotopic Mass: 240.04563003g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 5
Heavy Atom Count: 16
Rotatable Bond Count: 6
Complexity: 254
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.2
Topological Polar Surface Area: 77.9?2

Experimental Properties

PSA: 52.6
LogP: 1.73830

Methyl 2-(2-methoxy-2-oxoethyl)thiobenzoate Pricemore >>

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TRC	M239665-250mg	Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate	6287-88-3		250mg	$ 185.00	2022-06-04
TRC	M239665-500mg	Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate	6287-88-3		500mg	$ 300.00	2022-06-04
TRC	M239665-1000mg	Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate	6287-88-3		1g	$ 480.00	2022-06-04
abcr	AB415298-500 mg	Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate	6287-88-3		500MG	€195.40	2022-06-10
abcr	AB415298-1 g	Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate	6287-88-3		1g	€239.00	2023-04-24
A2B Chem LLC	AJ08755-500mg	Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate	6287-88-3	>95%	500mg	$412.00	2024-04-19
A2B Chem LLC	AJ08755-1g	Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate	6287-88-3	>95%	1g	$439.00	2024-04-19
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.	1386414-1g	Methyl 2-((2-methoxy-2-oxoethyl)thio)benzoate	6287-88-3	98%	1g	￥2160.00	2024-05-06
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.	1386414-5g	Methyl 2-((2-methoxy-2-oxoethyl)thio)benzoate	6287-88-3	98%	5g	￥7044.00	2024-05-06
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