1,2-Thiazetidine 1,1-dioxide

Base Information

• Chemical Name: 1,2-Thiazetidine 1,1-dioxide
• CAS No.: 34817-61-3
• Molecular Formula: C2H5NO2S
• Molecular Weight: 107.133
• European Community (EC) Number: 828-496-1
• DSSTox Substance ID: DTXSID40514030
• Nikkaji Number: J1.125.131E,J1.334.916I
• Wikidata: Q82374121
• Mol file: 34817-61-3.mol

Synonyms:1,2-thiazetidine 1,1-dioxide;34817-61-3;1,2-thiazetidine-1,1-dione;thiazetidine 1,1-dioxide;1lambda6,2-thiazetidine-1,1-dione;1lambda~6~,2-Thiazetidine-1,1-dione;MFCD02258342;2-Thiazetidine-1,1-dione;SCHEMBL7790096;[1,2]thiazetidine 1,1-dioxide;DTXSID40514030;GNPXXOFTVXIOLF-UHFFFAOYSA-N;AKOS026728356;AT12682;BS-12665;SY177368;CS-0343136;EN300-41338;AB01002785-01;J-019771;Z415933552;XGS

Chemical Property of 1,2-Thiazetidine 1,1-dioxide

Chemical Property:

• Melting Point: 50-51 °C
• Boiling Point: 212.4±23.0 °C(Predicted)
• PSA: 54.55000
• Density: 1.455±0.06 g/cm3(Predicted)
• LogP: 0.32900
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 107.00409958
• Heavy Atom Count: 6
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

1,2-thiazetidine-1,1-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CS(=O)(=O)N1

Technology Process of 1,2-Thiazetidine 1,1-dioxide

There total 4 articles about 1,2-Thiazetidine 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%

2-aminoethanesulphonyl chloride hydrochloride → 1,2-Thiazetidine 1,1-dioxide (34817-61-3)

Guidance literature:

With sodium carbonate; In ethyl acetate; at 20 ℃; for 48h;

DOI:10.1039/b208079f

Reference yield:

→ 1,2-Thiazetidine 1,1-dioxide (34817-61-3)

Guidance literature:

With ammonia;

Reference yield:

ethylamine (75-04-7,85404-22-4) → 1,2-Thiazetidine 1,1-dioxide (34817-61-3)

Guidance literature:

With pyridine; SULFAMIDE; for 16h; Reflux;

DOI:10.1016/j.bmcl.2015.12.102

upstream raw materials:

ethylamine

Downstream raw materials:

2-Carbamoyl-1,2-thiazetidin-1,1-dioxid

(1,1-dioxo-1λ⁶,2-thiazetidin-2-yl)(phenyl)methanone

2-benzyl-1,2-thiazetidine 1,1-dioxide

2-(tert-Butyldiphenylsilyl)-1,2-thiazetidin-1,1-dioxid

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