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2398-70-1

6-Thiotheophylline is a chemical compound derived from theophylline, a naturally occurring substance found in tea leaves. It is characterized by the replacement of the oxygen atom at the 6th position with a sulfur atom, resulting in a sulfur-containing analog of theophylline. This modification can alter the compound's pharmacological properties, potentially enhancing its activity or reducing side effects. 6-Thiotheophylline has been studied for its potential therapeutic applications, particularly in the treatment of respiratory diseases such as asthma and chronic obstructive pulmonary disease (COPD), due to its bronchodilatory effects. The sulfur atom substitution may also affect the compound's metabolism and interactions with enzymes, which could influence its efficacy and safety profile.

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  • 2398-70-1 Structure

  • Basic information

    1. Product Name: 6-thiotheophylline
    2. Synonyms: 6-thiotheophylline;2H-Purin-2-one, 1,3,6,7-tetrahydro-1,3-dimethyl-6-thioxo-;1,3-Dimethyl-6-thioxo-6,7-dihydro-1H-purine-2(3H)-one;2,3,6,7-Tetrahydro-1,3-dimethyl-6-thioxo-1H-purin-2-one
    3. CAS NO:2398-70-1
    4. Molecular Formula: C7H8N4OS
    5. Molecular Weight: 196.2296
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 2398-70-1.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 447.3 °C at 760 mmHg
    3. Flash Point: 224.3 °C
    4. Appearance: /
    5. Density: 1.57 g/cm3
    6. Vapor Pressure: 3.41E-08mmHg at 25°C
    7. Refractive Index: 1.733
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 6-thiotheophylline(CAS DataBase Reference)
    11. NIST Chemistry Reference: 6-thiotheophylline(2398-70-1)
    12. EPA Substance Registry System: 6-thiotheophylline(2398-70-1)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 2398-70-1(Hazardous Substances Data)

2398-70-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 2398-70-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,3,9 and 8 respectively; the second part has 2 digits, 7 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 2398-70:
(6*2)+(5*3)+(4*9)+(3*8)+(2*7)+(1*0)=101
101 % 10 = 1
So 2398-70-1 is a valid CAS Registry Number.
InChI:InChI=1/C7H8N4OS/c1-10-5-4(8-3-9-5)6(13)11(2)7(10)12/h3H,1-2H3,(H,8,9)

2398-70-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

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

1.2 Other means of identification

Product number -
Other names 1,3-Dimethyl-6-thioxo-1,3,6,7-tetrahydro-2H-purin-2-one

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:2398-70-1 SDS

2398-70-1Upstream product

2398-70-1Downstream Products

2398-70-1Relevant articles and documents

Solvent-free synthesis of thio-alkylxanthines from alkylxanthines using microwave irradiation

Rico-Gomez, Rodrigo,Najera, Francisco,Lopez-Romero, Juan Manuel,Ca, Pedro

, p. 2275 - 2278 (2007/10/03)

An expeditious, solvent-free procedure for the conversion of the xanthine bases theophylline, 8-methyltheophylline, caffeine, and theobromine to the corresponding 6-thio and 2,6-dithio derivatives using Lawesson's reagent under microwave irradiation is proposed.

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