structure of 6-Amino-2-thiouracil

6-Amino-2-thiouracil

CAS No.: 1004-40-6
M. Wt: 143.167
M. Fa: C4H5N3OS
InChI Key: YFYYRKDBDBILSD-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 6-Amino-2-thiouracil

CAS Number

1004-40-6

EC Number

213-722-8

MDL Number

MFCD01099687

IUPAC Name

6-amino-2-sulfanylidene-1H-pyrimidin-4-one

InChI

InChI=1S/C4H5N3OS/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)

InChIKey

YFYYRKDBDBILSD-UHFFFAOYSA-N

Canonical SMILES

C1=C(NC(=S)NC1=O)N

UNSPSC Code

12352100

Physical and chemical properties of 6-Amino-2-thiouracil

Acidity coefficient

7.92±0.20(Predicted)

Boiling Point

454.7±48.0 °C at 760 mmHg

Density

1.6±0.1 g/cm3

Exact Mass

143.015335

Flash Point

228.8±29.6 °C

Index of Refraction

1.761

LogP

-2.99

Melting Point

>300ºC

Molecular Formula

C4H5N3OS

Molecular Weight

143.167

PSA

110.83000

Storage condition

Keep in dark place,Inert atmosphere,Room temperature

Vapour Pressure

0.0±1.2 mmHg at 25°C

Water Solubility

256.3mg/L(25 ºC)

Safety Information of 6-Amino-2-thiouracil

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 6-Amino-2-thiouracil

The applications of 6-amino-2-thiouracil are diverse:

  • Pharmaceuticals: It is primarily used as an intermediate in the synthesis of antiviral and antimicrobial agents.
  • Research: The compound serves as a model compound in studies related to nucleic acid metabolism and enzyme inhibition.
  • Agricultural Chemistry: It may have potential applications in developing agrochemicals due to its biological activity against pathogens.

Interaction Studies of 6-Amino-2-thiouracil

Interaction studies involving 6-amino-2-thiouracil often focus on its binding affinity with various biological targets such as enzymes involved in nucleic acid synthesis. For instance, it has shown potential as an inhibitor of certain RNA polymerases, which could be leveraged for antiviral drug development. Additionally, studies on its interactions with DNA and RNA suggest that it may interfere with nucleic acid structure and function, contributing to its biological effects.

Biological Activity of 6-Amino-2-thiouracil

6-Amino-2-thiouracil exhibits significant biological activity, particularly in the fields of medicinal chemistry and pharmacology. It has been studied for its potential antiviral and antimicrobial properties. The compound serves as a precursor for synthesizing various bioactive molecules, including methylenebis(2-thiouracils), which have demonstrated antiviral activity. Additionally, its derivatives have been explored for their potential use in treating conditions such as cancer and infections due to their ability to inhibit nucleic acid synthesis.

Physical sample testing spectrum (NMR) of 6-Amino-2-thiouracil

Physical sample testing spectrum (NMR) of 6-Amino-2-thiouracil

Retrosynthesis analysis of 6-Amino-2-thiouracil

  • Route#1

    Cas:92289-61-7
    Cas:1004-40-6
  • Route#2

    Cas:17356-08-0
    Cas:51513-29-2
    Cas:1004-40-6
  • Route#3

    Cas:17356-08-0
    Cas:623-49-4
    Cas:1004-40-6