N,N-Dimethylthiourea

Base Information

• Chemical Name: N,N-Dimethylthiourea
• CAS No.: 6972-05-0
• Molecular Formula: C3H8 N2 S
• Molecular Weight: 104.176
• Hs Code.: 2930909090
• European Community (EC) Number: 230-204-7
• NSC Number: 67246
• UNII: E9F6NSU1N5
• DSSTox Substance ID: DTXSID80220007
• Nikkaji Number: J8.870F
• Mol file: 6972-05-0.mol

Synonyms:N,N-Dimethylthiourea;1,1-Dimethylthiourea;6972-05-0;Thiourea, N,N-dimethyl-;1,1-dimethyl-thiourea;1,1-Dimethyl-2-thiourea;Urea, 1,1-dimethyl-2-thio-;E9F6NSU1N5;EINECS 230-204-7;NSC 67246;NSC-67246;AI3-17358;NSC67246;Thiourea,N-dimethyl-;n,n,-dimethylthiourea;N,N-dimethyl thiourea;N,N1 -dimethylthiourea;DIETHYLBENZYLMALONATE;UNII-E9F6NSU1N5;Urea,1-dimethyl-2-thio-;NCIOpen2_000236;SCHEMBL134569;DTXSID80220007;MFCD00060474;STK895672;AKOS000117761;BS-12659;BB 0262064;CS-0231074;FT-0683650;EN300-10693;VU0611930-1;F19159;A914674;J-523279;Z56347524;F3349-0006

Chemical Property of N,N-Dimethylthiourea

Chemical Property:

• Melting Point: 163-164 °C
• Boiling Point: 144.6±23.0 °C(Predicted)
• PKA: 15.52±0.29(Predicted)
• PSA: 61.35000
• Density: 1.108±0.06 g/cm3(Predicted)
• LogP: 0.49190
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 104.04081944
• Heavy Atom Count: 6
• Complexity: 59.8

Purity/Quality:

97% ^*data from raw suppliers

N,N-dimethylthiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=S)N

Technology Process of N,N-Dimethylthiourea

There total 35 articles about N,N-Dimethylthiourea 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: 75.0%

3,5-dimethyl-1H-pyrazole-1-carbothioamide (1124-15-8) + dimethyl amine (124-40-3) → 1,1-dimethyl-2-thiourea (6972-05-0)

Guidance literature:

at 20 ℃; for 15h;

Reference yield: 62.0%

5-Dimethylamino-3-phenyl-[1,4,2]dithiazol-1-ylium; perchlorate → 5-dimethylamino-3-phenyl-1,2,4-thiadiazole (35547-63-8) + 1,1-dimethyl-2-thiourea (6972-05-0) + benzenecarbothioamide (2227-79-4)

Guidance literature:

With ammonium hydroxide; In water; for 12h; Ambient temperature;

DOI:10.1246/bcsj.61.4043

Reference yield: 52.0%

di(1H-imidazol-2-yl)methanethione (88681-68-9) + dimethyl amine (124-40-3) → 1,1-dimethyl-2-thiourea (6972-05-0)

Guidance literature:

di(1H-imidazol-2-yl)methanethione; dimethyl amine; In tetrahydrofuran; at 50 ℃; for 2h;

With ammonia; In methanol; for 60h;

upstream raw materials:

N,N-dimethylammonium thiocyanate

NCNMe₂

thiourea

O-ethyl thiocarbamate

Downstream raw materials:

3,5-dimethyl-[1,3,5]oxadiazinane-4-thione

4,5-dihydroxy-1,3-dimethyl-4,5-diphenyltetrahydroimidazole-2-thione

N,N',S-trimethyl-isothiourea

2-dimethylamino-1,3-thiazole