Thiobiuret

Base Information

• Chemical Name: Thiobiuret
• CAS No.: 23228-74-2
• Molecular Formula: C2H5 N3 O S
• Molecular Weight: 119.147
• European Community (EC) Number: 245-504-3
• NSC Number: 174080
• DSSTox Substance ID: DTXSID80177800
• Nikkaji Number: J318.430G
• Mol file: 23228-74-2.mol

Synonyms:Thiobiuret;23228-74-2;Thioimidodicarbonic diamide ((H2N)C(O)NHC(S)(NH2));carbamothioylurea;EINECS 245-504-3;AI3-63145;2-Thiobiuret;Monothiobiuret;Biuret, thio-;NSC174080;Dicarbonimidothioic diamide;SCHEMBL395399;Urea, N-(aminothioxomethyl)-;SCHEMBL8046794;DTXSID80177800;(H2-N)C(O)NHC(S)(NH2);AKOS006342697;NSC 174080;NSC-174080

Chemical Property of Thiobiuret

Chemical Property:

• Vapor Pressure: 0.00321mmHg at 25°C
• Boiling Point: 251.5°Cat760mmHg
• Flash Point: 105.9°C
• PSA: 113.23000
• Density: 1.492g/cm³
• LogP: 0.68980
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 119.01533297
• Heavy Atom Count: 7
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(N)NC(=S)N

Technology Process of Thiobiuret

There total 10 articles about Thiobiuret 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: 85.0%

N-(carbamoylcarbamothioyl)benzamide (34277-78-6) → 2-thiobiuret (23228-74-2)

Guidance literature:

With sodium hydroxide; In ethanol; at 50 ℃; for 0.166667h;

DOI:10.1016/j.bmc.2007.09.016

Reference yield: 73.0%

sodium salt of 1-cyanourea (76989-89-4) → 2-thiobiuret (23228-74-2)

Guidance literature:

With hydrogen sulfide; In water; at 75 - 80 ℃;

Reference yield: 71.0%

carbonyl diisothiocyanate (6470-09-3) → 2-thiobiuret (23228-74-2)

Guidance literature:

With ammonia; In diethyl ether; at 0 ℃; for 3h;

upstream raw materials:

N-cyanourea

carbamimidoylurea

N-(carbamoylcarbamothioyl)benzamide

carbonyl diisothiocyanate

Downstream raw materials:

(4-phenyl-thiazol-2-yl)-urea

5-amino-2H-1,2,4-thiadiazolin-3-one

BIURET

N-cyanourea

Refernces

• 1、 Castro, Ana,Encinas, Arantxa,Gil, Carmen,Braese, Stefan,Porcal, Williams,Perez, Concepcion,Moreno, Francisco J.,Martinez, Ana. "Non-ATP competitive glycogen synthase kinase 3β (GSK-3β) inhibitors: Study of structural requirements for thiadiazolidinone derivatives". . p. 495 - 510. Retrieved 2008/04/05.
• 2、 Piskala,Vachalkova,Masojidkova,Horvathova,Ovesna,Paces,Novotny, Ladislav. "Improved synthesis, antibacterial activity and potential carcinogenicity of 5-amino-1,2,4-thiadiazol-3(2H)-one". . p. 756 - 762. Retrieved 2007/10/03.