Phosphoramidothioic acid, 1,3-dithiolan-2-ylidene-, O,O-diethyl ester

Base Information

• Chemical Name: Phosphoramidothioic acid, 1,3-dithiolan-2-ylidene-, O,O-diethyl ester
• CAS No.: 333-29-9
• Molecular Formula: C7H14 N O2 P S3
• Molecular Weight: 271.365
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID8075388
• Nikkaji Number: J4.535G
• Mol file: 333-29-9.mol

Synonyms:Cyloone;333-29-9;Phosphoramidothioic acid, 1,3-dithiolan-2-ylidene-, O,O-diethyl ester;1,3-Dithiolane, 2-(diethoxyphosphinylimino)-;O,O-Diethyl 1,3-dithiolan-2-ylidenephosphoramidothioate;American cyanamid CL-43064;American cyanamid AC 43,064;N-diethoxyphosphinothioyl-1,3-dithiolan-2-imine;ENT 25,809;BRN 4804631;AC-43064;EI 43064;AI3-25809;CL-43,064;(Diethoxyphosphinothioyl)dithioimidocarbonic acid cyclic ethylene ester;2-(Diethoxyphosphinothioylimino)-1,3-dithiolane;Cyclic ethylene (diethoxyphosphinothioyl)dithioimidocarbonate;Cyclic ethylene ester of (diethoxyphosphinothioyl)dithioimidocarbonic acid;Imidocarbonic acid, (diethoxyphosphinothioyl)dithio-, cyclic ethylene ester;DTXSID8075388;SCHEMBL11884757;AKOS040751359;AC 43064;LS-80700;2-Diathoxyphosphinothioylimino-1,3-dithiolan

Chemical Property of Phosphoramidothioic acid, 1,3-dithiolan-2-ylidene-, O,O-diethyl ester

Chemical Property:

• Vapor Pressure: 0.000107mmHg at 25°C
• Melting Point: 35-37 °C(Solv: hexane (110-54-3))
• Boiling Point: 347.6°Cat760mmHg
• PKA: -4.95±0.20(Predicted)
• Flash Point: 164°C
• PSA: 123.32000
• Density: 1.42g/cm³
• LogP: 3.77050
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 270.99242921
• Heavy Atom Count: 14
• Complexity: 241

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=S)(N=C1SCCS1)OCC

Technology Process of Phosphoramidothioic acid, 1,3-dithiolan-2-ylidene-, O,O-diethyl ester

There total 2 articles about Phosphoramidothioic acid, 1,3-dithiolan-2-ylidene-, O,O-diethyl ester 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: 77.0%

2-chloroethyl thiocyanate (928-57-4) + O,O-Diethyl hydrogen phosphorodithioate (298-06-6) → 2-Imino-1,3-dithiolane hydrochloride (1072-49-7) + diethyl phosphorochloridothioate (2524-04-1) + 2-<(Diethoxyphosphinothioyl)imino>-1,3-dithiolane (333-29-9)

Guidance literature:

In diethyl ether; for 48h;

Reference yield: 46.0%

O,O-Diethyl hydrogen phosphorodithioate (298-06-6) → 2-Imino-1,3-dithiolane hydrochloride (1072-49-7) + diethyl phosphorochloridothioate (2524-04-1) + 2-<(Diethoxyphosphinothioyl)imino>-1,3-dithiolane (333-29-9)

Guidance literature:

With 2-chloroethyl thiocyanate; In diethyl ether; for 48h;

upstream raw materials:

2-chloroethyl thiocyanate

O,O-Diethyl hydrogen phosphorodithioate

Refernces