S-(2-hydroxyethyl) ethanethioate

Base Information

• Chemical Name: S-(2-hydroxyethyl) ethanethioate
• CAS No.: 41858-09-7
• Molecular Formula: C4H8O2S
• Molecular Weight: 120.172
• DSSTox Substance ID: DTXSID90567915
• Nikkaji Number: J1.865.448B
• Wikidata: Q82453964
• Mol file: 41858-09-7.mol

Synonyms:S-(2-hydroxyethyl) ethanethioate;41858-09-7;Ethanethioic acid, S-(2-hydroxyethyl) ester;SCHEMBL264023;DTXSID90567915;S-acetyl-2-hydroxy-1-thioethane

Chemical Property of S-(2-hydroxyethyl) ethanethioate

Chemical Property:

• Boiling Point: 95 °C
• PSA: 62.60000
• Density: 1.164±0.06 g/cm3(Predicted)
• LogP: 0.25840
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 120.02450067
• Heavy Atom Count: 7
• Complexity: 62.7

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)SCCO

Technology Process of S-(2-hydroxyethyl) ethanethioate

There total 1 articles about S-(2-hydroxyethyl) ethanethioate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-nitrophenol acetate (830-03-5) + 2-hydroxyethanethiol (60-24-2) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + S-(2-hydroxyethyl)thioacetate (41858-09-7)

Guidance literature:

With Carbonate buffer; cetyltrimethylammonim bromide; sodium bromide; at 25 ℃; pH=10.60; Kinetics;

DOI:10.1139/v00-113

Reference yield: 80.0%

bis(4-nitrophenyl) phosphorochloridate (6546-97-0) + S-(2-hydroxyethyl)thioacetate (41858-09-7) → C16H15N2O9PS

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; Inert atmosphere; Cooling;

Reference yield: 59.0%

S-(2-hydroxyethyl)thioacetate (41858-09-7) + N6-(4-monomethoxytrityl)-9-(2-phosphonomethoxyethyl)adenine (153235-86-0) → N6-(4-monomethoxytrityl)-9-<2-phosphonomethoxy>ethyl>adenine (217493-91-9)

Guidance literature:

With pyridine; 1-(mesitylene-2-sulfonyl)-3-nitro-1H-1,2,4-triazole; for 12h; Ambient temperature;

DOI:10.1021/jm960289o

upstream raw materials:

4-nitrophenol acetate

2-hydroxyethanethiol

Downstream raw materials:

2-mercaptoethyl acetate

N⁶-(4-monomethoxytrityl)-9-<2-phosphonomethoxy>ethyl>adenine

(S)-2-{(S)-3-[(2-Acetylsulfanyl-ethoxy)-((R)-1-tert-butoxycarbonylamino-ethyl)-phosphinoyl]-2-biphenyl-4-ylmethyl-propionylamino}-propionic acid benzyl ester

triethylamine hydrochloride

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