S-butyl 2-hydroxypropanethioate

Base Information

• Chemical Name: S-butyl 2-hydroxypropanethioate
• CAS No.: 63860-11-7
• Molecular Formula: C₇H₁₄O₂S
• Molecular Weight: 162.253
• NSC Number: 191965
• DSSTox Substance ID: DTXSID50307536
• ChEMBL ID: CHEMBL3277440
• Mol file: 63860-11-7.mol

Synonyms:CHEMBL3277440;63860-11-7;S-butyl 2-hydroxypropanethioate;NSC191965;DTXSID50307536;BDBM50016877;NSC-191965

Chemical Property of S-butyl 2-hydroxypropanethioate

Chemical Property:

• Vapor Pressure: 0.0115mmHg at 25°C
• Boiling Point: 231.8°Cat760mmHg
• Flash Point: 94°C
• Density: 1.06g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 162.07145086
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCSC(=O)C(C)O

Technology Process of S-butyl 2-hydroxypropanethioate

There total 2 articles about S-butyl 2-hydroxypropanethioate 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:

1-butylsulfanyl-1-hydroxy-propan-2-one (30021-13-7) → S-Butyl-thiollactat (63860-11-7)

Guidance literature:

With 1-Methylpyrrolidine; magnesium(II) nitrate; In N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(01)98360-1

Reference yield:

n-butanethiol (109-79-5) + 2-oxopropanal (78-98-8) → S-Butyl-thiollactat (63860-11-7)

Guidance literature:

Multistep reaction; (i) Mg(OAc)2, DMF, (ii) 2,6-lutidine;

DOI:10.1021/jm00220a002

upstream raw materials:

1-butylsulfanyl-1-hydroxy-propan-2-one

n-butanethiol

2-oxopropanal