5,6-Diamino-4-thiouracil

Base Information

• Chemical Name: 5,6-Diamino-4-thiouracil
• CAS No.: 40848-33-7
• Molecular Formula: C4H6 N4 O S
• Molecular Weight: 158.18
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID30586347
• Wikidata: Q82478458
• Mol file: 40848-33-7.mol

Synonyms:5,6-Diamino-4-thiouracil;40848-33-7;4,5-Diamino-6-thiouracil;5,6-Diamino-4-thioxo-3,4-dihydropyrimidin-2(1H)-one;5,6-Diamino-4-sulfanylidene-1H-pyrimidin-2-one;diamino mercapto pyrimidone;SCHEMBL7564359;SCHEMBL9514014;DTXSID30586347;AKOS005067603;AKOS006273535;5,6-Diamino-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one;(2-AMINOPHENYL)-PHOSPHORAMIDICACIDMONO(4-CHLOROPHENYL)ESTER

Chemical Property of 5,6-Diamino-4-thiouracil

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: >270°C
• Refractive Index: 1.853
• Boiling Point: 558.351°C at 760 mmHg
• Flash Point: 291.481°C
• PSA: 132.78000
• Density: 1.729g/cm³
• LogP: 0.75930
• Solubility.: DMSO (slightly)
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 158.02623200
• Heavy Atom Count: 10
• Complexity: 233

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

5,6-Diamino-4-thiouracil ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(NC(=O)NC1=S)N)N
• Uses: Intermediate for the synthesis of THiouric Acid Intermediate for the synthesis of Thiouric Acid.

Technology Process of 5,6-Diamino-4-thiouracil

There total 2 articles about 5,6-Diamino-4-thiouracil 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: 70.0%

5,6-diaminouracil (3240-72-0) → 2-hydroxy-4-mercapto-5,6-diaminopyrimidine (40848-33-7)

Guidance literature:

With pyridine; diphosphorus pentasulfide; for 3h; Heating;

DOI:10.1016/j.bmc.2005.02.055

Reference yield:

→ 2-Hydroxy-4-mercapto-5,6-diamino-pyrimidin (40848-33-7)

Guidance literature:

2,4-Dihydroxy-5,6-diamino-pyrimidin, Phosphorpentasulfid, Pyridin, Kochen;

DOI:10.1021/jo01080a019

upstream raw materials:

5,6-diaminouracil