4H-1,3,5-Oxadiazine-4-thione, tetrahydro-3,5-dimethyl-

Base Information

• Chemical Name: 4H-1,3,5-Oxadiazine-4-thione, tetrahydro-3,5-dimethyl-
• CAS No.: 25952-35-6
• Molecular Formula: C5H10 N2 O S
• Molecular Weight: 146.213
• Hs Code.: 2934999090
• European Community (EC) Number: 247-360-7
• UNII: 21VAE2L4XA
• DSSTox Substance ID: DTXSID8067159
• Nikkaji Number: J64.525G
• Wikidata: Q27253582
• Mol file: 25952-35-6.mol

Synonyms:25952-35-6;TDOT;3,5-Dimethyl-perhydro-1,3,5-oxadiazine-4-thione;4H-1,3,5-Oxadiazine-4-thione, tetrahydro-3,5-dimethyl-;3,5-dimethyl-1,3,5-oxadiazinane-4-thione;EINECS 247-360-7;UNII-21VAE2L4XA;3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-thione;BRN 0114576;21VAE2L4XA;Tetrahydro-3,5-dimethyl-4H-1,3,5-oxadiazine-4-thione;4-27-00-07439 (Beilstein Handbook Reference);SCHEMBL3499583;DTXSID8067159;MFCD07776674;AKOS006284893;LS-98975;FT-0692010;Q27253582;4H-1,3,5-Oxadiazine-4-thione,tetrahydro-3,5-dimethyl-

Chemical Property of 4H-1,3,5-Oxadiazine-4-thione, tetrahydro-3,5-dimethyl-

Chemical Property:

• Vapor Pressure: 0.000208mmHg at 25°C
• Refractive Index: 1.6430 (estimate)
• Boiling Point: 327 °C at 760 mmHg
• Flash Point: 151.6 °C
• PSA: 47.80000
• Density: 1.24 g/cm³
• LogP: -0.04410
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 146.05138412
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

98%Min ^*data from raw suppliers

3,5-DIMETHYL-PERHYDRO-1,3,5-OXADIAZINE-4-THIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1COCN(C1=S)C

Technology Process of 4H-1,3,5-Oxadiazine-4-thione, tetrahydro-3,5-dimethyl-

There total 3 articles about 4H-1,3,5-Oxadiazine-4-thione, tetrahydro-3,5-dimethyl- 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N,N-dimethylthiourea (534-13-4) → 3,5-dimethyl-[1,3,5]oxadiazinane-4-thione (25952-35-6)

Guidance literature:

With toluene-4-sulfonic acid; In chloroform;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,1-dimethyl-2-thiourea (6972-05-0) → 3,5-dimethyl-[1,3,5]oxadiazinane-4-thione (25952-35-6)

Guidance literature:

With hydrogenchloride;

DOI:10.1093/gerona/56.5.M292

Reference yield:

→ 3,5-dimethyl-[1,3,5]oxadiazinane-4-thione (25952-35-6)

Guidance literature:

entspr. Thioharnstoff, Para-CH2O;

upstream raw materials:

formaldehyd

1,1-dimethyl-2-thiourea

N,N-dimethylthiourea

Refernces