3-Bromothietane 1,1-dioxide

Base Information

• Chemical Name: 3-Bromothietane 1,1-dioxide
• CAS No.: 59463-72-8
• Molecular Formula: C3H5BrO2S
• Molecular Weight: 185.041
• Hs Code.: 2903399090
• European Community (EC) Number: 828-235-1
• NSC Number: 187745
• DSSTox Substance ID: DTXSID90307111
• Wikidata: Q72513002
• Mol file: 59463-72-8.mol

Synonyms:3-bromothietane 1,1-dioxide;59463-72-8;1,1-DIOXIDE-3-BROMOTHIETANE;Thietane, 3-bromo-, 1,1-dioxide;MFCD11870754;3-bromothietane1,1-dioxide;NSC187745;3-bromo-thietane 1,1-dioxide;SCHEMBL1770949;DTXSID90307111;XSEKMFLQQOEVTJ-UHFFFAOYSA-N;3-bromo-1|E?-thietane-1,1-dione;3-bromo-1lambda6-thietane-1,1-dione;AKOS015836084;AT23423;FD15009;NSC-187745;3-BROMOTHIETANE 1,1-DIOXIDE (WITH ~10% 3-CHLOROTHIETANE 1,1-DIOXIDE);PS-18029;SY192900;3-BROMO-1??-THIETANE-1,1-DIONE;A8361;AM20100451;BB 0261640;CS-0046198;FT-0682347;EN300-85634

Chemical Property of 3-Bromothietane 1,1-dioxide

Chemical Property:

• Melting Point: 153-155 °C
• Boiling Point: 356.5 °C at 760 mmHg
• Flash Point: 169.4 °C
• PSA: 42.52000
• Density: 2.013 g/cm³
• LogP: 1.25910
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 183.91936
• Heavy Atom Count: 7
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

1,1-Dioxide-3-bromothietane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CS1(=O)=O)Br

Technology Process of 3-Bromothietane 1,1-dioxide

There total 2 articles about 3-Bromothietane 1,1-dioxide 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: 89.0%

thiethane 1,1-dioxide (5687-92-3) → 3-Bromothietane 1,1-dioxide (59463-72-8)

Guidance literature:

With bromine; chlorine; In tetrachloromethane; Irradiation;

DOI:10.1055/s-1982-29867

Reference yield:

→ 3-Bromothietane 1,1-dioxide (59463-72-8)

Guidance literature:

aus 1, Br2-Cl2/CCl4, hν;

DOI:10.1021/jo00880a033

Reference yield: 82.0%

3-Bromothietane 1,1-dioxide (59463-72-8) → 2H-thiete 1,1-dioxide (7285-32-7)

Guidance literature:

With triethylamine; In benzene; 1.) 4 h, 2.) cooled overnight;

DOI:10.1055/s-1982-29867

upstream raw materials:

thiethane 1,1-dioxide

Downstream raw materials:

2H-thiete 1,1-dioxide

Refernces