4869-70-9

Basic information

• Product Name: 2,7-Dihydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-1H-purin-6(3H)-one
• Synonyms: 2,7-Dihydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-1H-purin-6(3H)-one;3,7-Dihydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-1H-purin-6(2H)-one;8-Pentylthio-2-thiotheophylline
• CAS NO: 4869-70-9
• Molecular Formula: C12H18N4OS2
• Molecular Weight: 298.43
• Mol File: 4869-70-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 489.1°C at 760 mmHg
• Flash Point: 249.6°C
• Appearance: /
• Density: 1.35g/cm³
• Vapor Pressure: 1.02E-09mmHg at 25°C
• Refractive Index: 1.659
• CAS DataBase Reference: 2,7-Dihydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-1H-purin-6(3H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2,7-Dihydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-1H-purin-6(3H)-one(4869-70-9)
• EPA Substance Registry System: 2,7-Dihydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-1H-purin-6(3H)-one(4869-70-9)

Safety Data

• Hazardous Substances Data: 4869-70-9(Hazardous Substances Data)

Usage

Classification

Synthetic chemical compound
Belongs to the xanthine family

Derivative

Theophyline
A well-known bronchodilator used to treat asthma and chronic obstructive pulmonary disease (COPD)

Potential applications

Bronchodilator
Shows promise in dilating airways, reducing inflammation, and improving lung function

Additional properties

Antimicrobial and antiviral
Studied for its potential value in the development of new drugs for respiratory and infectious diseases

InChI:InChI=1/C12H18N4OS2/c1-4-5-6-7-19-11-13-8-9(14-11)15(2)12(18)16(3)10(8)17/h4-7H2,1-3H3,(H,13,14)

Relevant articles and documents

The synthesis of some 8-alkylthio-2-thiotheophyllines and 8-alkylthio-6-thiotheophyllines.

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