1-Phenyl-2-sulfanylethan-1-ol

Base Information

• Chemical Name: 1-Phenyl-2-sulfanylethan-1-ol
• CAS No.: 28713-50-0
• Molecular Formula: C8H10OS
• Molecular Weight: 154.233
• European Community (EC) Number: 827-640-0
• Mol file: 28713-50-0.mol

Synonyms:1-phenyl-2-sulfanylethan-1-ol;28713-50-0;1-PHENYL-2-SULFANYLETHANOL;1-phenyl-2-mercaptoethanol;SCHEMBL1408545;1-mercapto-2-phenyl-2-ethanol;GADYZKYNBSDWMQ-UHFFFAOYSA-N;MFCD11857933;AKOS015955080;FS-6542;EN300-42647

Chemical Property of 1-Phenyl-2-sulfanylethan-1-ol

Chemical Property:

• Boiling Point: 84 - 87 °C (1 - 1.5 mmHg)
• PSA: 59.03000
• LogP: 1.64980
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 154.04523611
• Heavy Atom Count: 10
• Complexity: 89.3

Purity/Quality:

99% ^*data from raw suppliers

1-phenyl-2-sulfanylethan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CS)O

Technology Process of 1-Phenyl-2-sulfanylethan-1-ol

There total 15 articles about 1-Phenyl-2-sulfanylethan-1-ol 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: 95.0%

styrene oxide (96-09-3) + hexamethyldisilathiane (3385-94-2) → 1-mercapto-1-phenyl-2-hydroxyethane (60615-96-5) + 1-mercapto-2-phenyl-2-hydroxyethane (28713-50-0)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃;

DOI:10.1055/s-2005-921922

Reference yield: 90.0%

phenacyl thioacetate (53392-49-7) → 1-mercapto-2-phenyl-2-hydroxyethane (28713-50-0)

Guidance literature:

With palladium diacetate; In methanol; for 1h; Heating;

DOI:10.1080/00397919508011812

Reference yield: 68.0%

styrene oxide (96-09-3) → 1-mercapto-1-phenyl-2-hydroxyethane (60615-96-5) + 1-mercapto-2-phenyl-2-hydroxyethane (28713-50-0)

Guidance literature:

With hydrogen sulfide; C₈H₂₀N₂O*C₃H₆O₃; at 30 ℃; for 2h; Reagent/catalyst; Temperature; Green chemistry;

DOI:10.1039/d1gc02829d

upstream raw materials:

dithiocarbonic acid O-benzyl ester-S-phenacyl ester

styrene oxide

bis[(2-pyridyl)methyl]amine

dithiobenzoate d'hydroxy-2 phenyl-2 ethyle

Downstream raw materials:

2-phenyl-1-oxa-4-thia-spiro[4.5]decane

2-(ethylthio)-1-phenylethanol

1-phenyl-2-(vinylthio)ethanol

R*,S*-1-phenyl-2-(vinylthio)ethanol