S-(tert-Butyl) 2-methyl-2-propanesulfinothioate

Base Information

• Chemical Name: S-(tert-Butyl) 2-methyl-2-propanesulfinothioate
• CAS No.: 31562-40-0
• Molecular Formula: C8H18 O S2
• Molecular Weight: 194.362
• Hs Code.: 2930909090
• European Community (EC) Number: 631-140-6
• NSC Number: 122681
• Nikkaji Number: J2.008.576B,J599.388A
• ChEMBL ID: CHEMBL1224168
• Mol file: 31562-40-0.mol

Synonyms:31562-40-0;S-(tert-Butyl) 2-methyl-2-propanesulfinothioate;2-tert-butylsulfinylsulfanyl-2-methylpropane;s-tert-butyl 2-methylpropane-2-sulfinothioate;NSC122681;CHEMBL1224168;(S)-(-)-tert-Butyl tert-butanethiosulfinate;NSC 122681;SCHEMBL8480012;BDBM50325653;AKOS006289719;NSC-122681;FT-0646470;2-(2-ethoxy-2-oxoethyl)-4-fluorobenzoicacid;2-tert-butylsulfinylsulfanyl-2-methyl-propane;A835872;J-502275;J-502526;(R)-S-tert-Butyl 2-methylpropane-2-sulfinothioate

Chemical Property of S-(tert-Butyl) 2-methyl-2-propanesulfinothioate

Chemical Property:

• Vapor Pressure: 0.0101mmHg at 25°C
• Melting Point: <21 °C
• Boiling Point: 272.5 °C at 760 mmHg
• Flash Point: 118.6 °C
• PSA: 61.58000
• Density: 1.055 g/cm³
• LogP: 3.84600
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 194.07990754
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)SS(=O)C(C)(C)C

Technology Process of S-(tert-Butyl) 2-methyl-2-propanesulfinothioate

There total 8 articles about S-(tert-Butyl) 2-methyl-2-propanesulfinothioate 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: 94.0%

(R)-N-((S)-(2-(methoxymethoxy)phenyl)(phenyl)methyl)-2-methylpropane-2-sulfinamide (1608484-72-5) → tert-butyl tert-butanethiosulfinate (31562-40-0) + di-tert-butyl thiosulfonate (31562-41-1) + (S)-(2-(methoxymethoxy)phenyl)(phenyl)methanaminium sulfate

Guidance literature:

With water; iodine; In tetrahydrofuran; at 50 ℃; for 12h;

DOI:10.1039/c4cc00958d

Reference yield: 93.0%

di-tert-butyl disulfide (110-06-5) → di-tert-butyl trisulfide (4253-90-1) + bis(2-methyl-2-propyl)tetrasulfide (5943-35-1) + tert-butyl tert-butanethiosulfinate (31562-40-0) + di-tert-butyl thiosulfonate (31562-41-1)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; Further byproducts given; 1.) 22 - 24 deg C, 30 min, 2.) reflux, 1 h;

DOI:10.1021/jo00241a025

Reference yield: 85.0%

2-pyridyl tert-butyl sulfoxide (116249-84-4) → 2-phenylpyridine (1008-89-5) + tert-butyl tert-butanethiosulfinate (31562-40-0)

Guidance literature:

With phenylmagnesium bromide; In tetrahydrofuran; for 0.25h; Ambient temperature;

upstream raw materials:

di-tert-butyl disulfide

tert.-butyl lithium

2-pyridyl tert-butyl sulfoxide

phenylmagnesium bromide

Downstream raw materials:

2-Methyl-2-propyl-α-styrolthiolsulfinat

di-tert-butyl trisulfide

bis(2-methyl-2-propyl)tetrasulfide

di-tert-butyl thiosulfonate