6-thiotheophylline

Modify Date: 2024-01-21 12:50:58

6-thiotheophylline Structure
6-thiotheophylline structure
Common Name 6-thiotheophylline
CAS Number 2398-70-1 Molecular Weight 196.23000
Density 1.57g/cm3 Boiling Point 447.3ºC at 760mmHg
Molecular Formula C7H8N4OS Melting Point N/A
MSDS N/A Flash Point 224.3ºC

 Names

Name 1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.57g/cm3
Boiling Point 447.3ºC at 760mmHg
Molecular Formula C7H8N4OS
Molecular Weight 196.23000
Flash Point 224.3ºC
Exact Mass 196.04200
PSA 87.70000
LogP 0.32960
Vapour Pressure 3.41E-08mmHg at 25°C
Index of Refraction 1.733

 Synthetic Route

~94%

6-thiotheophylline Structure

6-thiotheophylline

CAS#:2398-70-1

Literature: Rico-Gomez, Rodrigo; Najera, Francisco; Lopez-Romero, Juan Manuel; Ca, Pedro Heterocycles, 2000 , vol. 53, # 10 p. 2275 - 2278

 Precursor & DownStream

Precursor  1

DownStream  1

 Synonyms

1,3-Dimethyl-6-thioxo-1,3,6,7-tetrahydro-2H-purin-2-one
2H-Purin-2-one,1,3,6,7-tetrahydro-1,3-dimethyl-6-thioxo
6-Thiotheophylline
6-Thio-theophyllin
1,3-Dimethyl-2-oxo-6-thioxo-1,2,3,6-tetrahydro-7H-purin
1,3-Dimethyl-6-thio-xanthin
2-Thiotheophyllin
1,3-dimethyl-6-thioxo-1,3,6,7(9)-tetrahydro-purin-2-one
6-Thionotheophyllin