Tetrahydro-4,6-dithioxo-1,3,5-triazin-2(1H)-one

Base Information

• Chemical Name: Tetrahydro-4,6-dithioxo-1,3,5-triazin-2(1H)-one
• CAS No.: 33776-96-4
• Molecular Formula: C3H3N3OS2
• Molecular Weight: 161.208
• Hs Code.: 2933699090
• European Community (EC) Number: 251-675-5
• NSC Number: 50578
• UNII: DWU177V2ET
• DSSTox Substance ID: DTXSID10187437
• Nikkaji Number: J308.538D
• Mol file: 33776-96-4.mol

Synonyms:dithiocyanuric acid;33776-96-4;Tetrahydro-4,6-dithioxo-1,3,5-triazin-2(1H)-one;DWU177V2ET;EINECS 251-675-5;NSC 50578;NSC-50578;NSC50578;UNII-DWU177V2ET;C3H3N3OS2;SCHEMBL594806;SCHEMBL10859256;DTXSID10187437;C3-H3-N3-O-S2;AKOS006328353;4,6-Dithioxohexahydro-1,3,5-triazine-2-one;1,3,5-Triazin-2(1H)-one, tetrahydro-4,6-dithioxo-;S-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE, DITHIO-;S-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE, 2,4-DITHIO-

Chemical Property of Tetrahydro-4,6-dithioxo-1,3,5-triazin-2(1H)-one

Chemical Property:

• Vapor Pressure: 4.49E-09mmHg at 25°C
• Refractive Index: 1.808
• Boiling Point: 459.8°Cat760mmHg
• PKA: 5.03±0.20(Predicted)
• Flash Point: 231.9°C
• PSA: 128.62000
• Density: 1.77g/cm³
• LogP: 0.49010
• XLogP3: 0
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 160.97175407
• Heavy Atom Count: 9
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

TETRAHYDRO-4,6-DITHIOXO-1,3,5-TRIAZIN-2-(1H)-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=O)NC(=S)NC(=S)N1

Technology Process of Tetrahydro-4,6-dithioxo-1,3,5-triazin-2(1H)-one

There total 1 articles about Tetrahydro-4,6-dithioxo-1,3,5-triazin-2(1H)-one 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:

potassium thioacyanate (333-20-0) → 4,6-dithioxo-[1,3,5]triazinan-2-one (33776-96-4)

Guidance literature:

With hydrogenchloride; ethanol; Behandeln des Reaktionsprodukts mit konz.Ammoniak;

Reference yield:

4,6-dithioxo-[1,3,5]triazinan-2-one (33776-96-4) → carbon disulfide (75-15-0,12122-00-8)

Guidance literature:

at 360 ℃;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + 4,6-dithioxo-[1,3,5]triazinan-2-one (33776-96-4) → hydrogen sulfide (7783-06-4) + isocyanuric acid (108-80-5)

Guidance literature:

at 130 ℃;

upstream raw materials:

potassium thioacyanate

Downstream raw materials:

carbon disulfide

isocyanuric acid

hydrogen sulfide