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1,3-dimethyl-8-(propylsulfanyl)-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one is a complex organic compound belonging to the purine family. It is characterized by a 6H-purin-6-one core structure, which is a type of heterocyclic compound with a pyrimidine ring fused to an imidazole ring. The compound features two methyl groups at the 1st and 3rd positions, a propylsulfanyl group at the 8th position, and a 2-thioxo group, which replaces the oxygen atom in the 2-position of the purine ring. 1,3-dimethyl-8-(propylsulfanyl)-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one is a derivative of the naturally occurring purine bases found in nucleic acids and is of interest in medicinal chemistry due to its potential biological activities and applications in drug development.

4791-36-0

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4791-36-0 Usage

Molecular Weight

304.43 g/mol

Chemical Class

Purine derivatives

Functional Groups

Thioxo group (C=S)
Propylsulfanyl substituent (-SCH2CH2CH3)
Methyl groups (-CH3)

Structural Features

1,3-Dimethyl substitution on the purine core
8-Position propylsulfanyl group
2-Thioxo group at the 2nd position
1,2,3,7-Tetrahydro ring system

Biological Activity

Potential for pharmaceutical and medical applications

Research Interest

Interesting subject for further research and development in chemistry and pharmacology

Solubility

Unknown, but may vary depending on solvent polarity

Stability

May be sensitive to oxidation, hydrolysis, and other chemical reactions

Synthesis

Complex multi-step synthesis involving the formation of the purine core, introduction of substituents, and cyclization reactions

Analytical Techniques

NMR spectroscopy for structural elucidation
Mass spectrometry for molecular weight determination
Elemental analysis for empirical formula confirmation

Potential Applications

Drug development targeting specific enzymes or receptors
Diagnostic tools for detecting or monitoring certain conditions
Research tools for studying biological processes involving purine metabolism or related pathways

Check Digit Verification of cas no

The CAS Registry Mumber 4791-36-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,7,9 and 1 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 4791-36:
(6*4)+(5*7)+(4*9)+(3*1)+(2*3)+(1*6)=110
110 % 10 = 0
So 4791-36-0 is a valid CAS Registry Number.

4791-36-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,3-dimethyl-8-propylsulfanyl-2-sulfanylidene-7H-purin-6-one

1.2 Other means of identification

Product number -
Other names 2-Thio-(8-propylthio)theophylline

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:4791-36-0 SDS

4791-36-0Upstream product

4791-36-0Downstream Products

4791-36-0Relevant academic research and scientific papers

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