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1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one is a complex organic compound belonging to the purine family, characterized by a unique molecular structure. 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one consists of a 1,3,6,7-tetrahydropurine core, with two methyl groups attached at the 1st and 3rd positions, and a sulfur atom at the 6th position, forming a thioxo group. Additionally, an octylthio group is attached at the 8th position, further enhancing the molecule's complexity. This chemical is primarily used in pharmaceutical applications, particularly as an intermediate in the synthesis of various purine-based drugs, such as antiviral and anticancer agents. Its unique structure and properties make it an important compound in the field of medicinal chemistry, with potential therapeutic applications in the development of novel treatments for various diseases.

4791-40-6

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4791-40-6 Usage

Chemical structure

A complex structure that includes a purine ring.

Classification

A thioxanthine derivative.

Potential applications

Pharmaceutical or as a research tool.

Chemical properties

Contains a thioxanthine group and an octylthio side chain.

Biological activities

The thioxanthine group and octylthio side chain are likely important for its potential biological activities.

Interest for further study

Fields of chemistry, pharmacology, and drug development.

Unique structure

May be of interest due to its unique structure.

Check Digit Verification of cas no

The CAS Registry Mumber 4791-40-6 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, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 4791-40:
(6*4)+(5*7)+(4*9)+(3*1)+(2*4)+(1*0)=106
106 % 10 = 6
So 4791-40-6 is a valid CAS Registry Number.
InChI:InChI=1/C15H24N4OS2/c1-4-5-6-7-8-9-10-22-14-16-11-12(17-14)18(2)15(20)19(3)13(11)21/h4-10H2,1-3H3,(H,16,17)

4791-40-6SDS

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-octylsulfanyl-6-sulfanylidene-7H-purin-2-one

1.2 Other means of identification

Product number -
Other names Theophylline,(8-octylthio)-6-thio

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:4791-40-6 SDS

4791-40-6Upstream product

4791-40-6Downstream Products

4791-40-6Relevant academic research and scientific papers

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