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2-Thiouracil

Base Information
  • Chemical Name:2-Thiouracil
  • CAS No.:141-90-2
  • Deprecated CAS:107646-88-8,107646-89-9,156-82-1,4401-53-0,4401-54-1,107646-89-9,156-82-1,4401-54-1
  • Molecular Formula:C4H4N2OS
  • Molecular Weight:128.155
  • Hs Code.:29335995
  • European Community (EC) Number:205-508-8
  • NSC Number:758660,19473
  • UNII:59X161SCYL
  • DSSTox Substance ID:DTXSID4021347
  • Nikkaji Number:J9.741A
  • Wikipedia:2-Thiouracil
  • Wikidata:Q20892027
  • NCI Thesaurus Code:C29856
  • Metabolomics Workbench ID:66965
  • ChEMBL ID:CHEMBL345768
  • Mol file:141-90-2.mol
2-Thiouracil

Synonyms:Thiouracil

Suppliers and Price of 2-Thiouracil
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • Usbiological
  • 2-Thiouracil
  • 1g
  • $ 403.00
  • Usbiological
  • 2-Thiouracil 99+%
  • 25g
  • $ 156.00
  • TRC
  • 2-Thiouracil
  • 25g
  • $ 75.00
  • TRC
  • 2-Thiouracil
  • 250g
  • $ 145.00
  • TCI Chemical
  • 2-Thiouracil >98.0%(HPLC)(T)
  • 25g
  • $ 45.00
  • TCI Chemical
  • 2-Thiouracil >98.0%(HPLC)(T)
  • 250g
  • $ 261.00
  • SynQuest Laboratories
  • 2-Thiouracil
  • 100 g
  • $ 160.00
  • Sigma-Aldrich
  • 2-Thiouracil ≥99%
  • 100g
  • $ 134.00
  • Sigma-Aldrich
  • 2-Thiouracil for synthesis
  • 100 g
  • $ 49.58
  • Sigma-Aldrich
  • 2-Thiouracil ≥99%
  • 25g
  • $ 48.90
Total 148 raw suppliers
Chemical Property of 2-Thiouracil
Chemical Property:
  • Appearance/Colour:white to cream fine crystalline powder 
  • Vapor Pressure:5.45E-05mmHg at 25°C 
  • Melting Point:>300 °C(lit.) 
  • Refractive Index:1.677 
  • Boiling Point:337.2 °C at 760 mmHg 
  • PKA:pKa 7.46 (Uncertain) 
  • Flash Point:157.7 °C 
  • PSA:80.74000 
  • Density:1.46 g/cm3 
  • LogP:0.43250 
  • Storage Temp.:2-8°C 
  • Solubility.:7.9g/l 
  • Water Solubility.:0.5 g/L 
  • XLogP3:-0.3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:0
  • Exact Mass:128.00443393
  • Heavy Atom Count:8
  • Complexity:163
Purity/Quality:

99%, *data from raw suppliers

2-Thiouracil *data from reagent suppliers

Safty Information:
  • Pictogram(s): HarmfulXn,Toxic
  • Hazard Codes:Xn,T 
  • Statements: 40-45-20/21/22 
  • Safety Statements: 36/37-53-45 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1=CNC(=S)NC1=O
  • General Description 2-Thiouracil serves as a key precursor in the synthesis of fused heterocyclic compounds, such as pyrimidopyrimidines, pyridopyrimidines, and imidazolopyrimidines, which exhibit potential as chemotherapeutic agents. Its reactivity with primary amines, formalin, and ethyl 3-aryl-2-cyanoacrylates enables the formation of structurally diverse derivatives, including 6-substituted-1-methyl-2-thiopyrimido[4,5-d]pyrimidines and ethyl 7-amino-5-aryl-1-methyl-4-oxo-2-thiopyrido[2,3-d]pyrimidines. These derivatives demonstrate biological relevance, highlighting 2-thiouracil's utility in medicinal chemistry for developing novel therapeutic candidates.
Technology Process of 2-Thiouracil

There total 33 articles about 2-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:
Guidance literature:
With pyridine; hydrogen sulfide; triethylamine; for 4h;
Guidance literature:
With sodium ethanolate; thiourea; In ethanol;
DOI:10.1021/jm00105a049
Guidance literature:
orthoformic acid triethyl ester; Polymer: 4-phenylbutan-2-one cyclic malonic acid ester, bound to Merrifield resin; for 6h; Heating;
thiourea; for 12h; Heating;
at 220 - 240 ℃; for 0.333333h; Further stages.;
DOI:10.1021/jo020175m
Refernces

One-pot synthesis of fused 2-thiouracils: Pyrimidopyrimidines, pyridopyrimidines and imidazolopyrimidines

10.1515/znb-2008-0709

The research focuses on the one-pot synthesis of fused 2-thiouracils, including pyrimidopyrimidines, pyridopyrimidines, and imidazolopyrimidines, which are potentially significant as chemotherapeutic agents. The study aims to expand the knowledge of 2-thiopyrimido[4,5-d]pyrimidines, a class of compounds not previously reported in the literature, and to contribute to the synthesis of biologically active compounds with potential applications in various therapeutic areas. The researchers synthesized several 6-substituted-1-methyl-2,5,7,8-tetrahydro-2-thiopyrimido[4,5-d]pyrimidine-4-ones and ethyl 7-amino-5-aryl-1-methyl-4-oxo-1,2,3,4-tetrahydro-2-thiopyrido[2,3-d]pyrimidines-6-carboxylates by treating 6-amino-1-methyl-2-thiouracil with primary amines and formalin, and with ethyl 3-aryl-2-cyanoacrylate, respectively. Additionally, 8-substituted-7-hydroxy-3methyl-2-thioxanthines were synthesized by treating 6-amino-1-methyl-5-nitroso-2-thiouracil with benzylidene-anilines. The newly synthesized compounds were subjected to elemental and spectral analyses to confirm their structures and properties. The chemicals used in the process include various primary amines, formalin, ethyl 3-aryl-2-cyanoacrylates, and benzylidene-anilines, among others. The study successfully yielded a series of new compounds with potential biological activities, contributing to the development of novel therapeutic agents.

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