2398-70-1
2398-70-1 structure
- Name: 6-thiotheophylline
- Chemical Name: 1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
- CAS Number: 2398-70-1
- Molecular Formula: C7H8N4OS
- Molecular Weight: 196.23000
- Create Date: 2017-05-01 20:54:39
- Modify Date: 2025-10-01 12:21:53
| Name | 1,3-dimethyl-6-sulfanylidene-7H-purin-2-one |
|---|---|
| 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 |
| 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 |
|
~94%
2398-70-1 |
| Literature: Rico-Gomez, Rodrigo; Najera, Francisco; Lopez-Romero, Juan Manuel; Ca, Pedro Heterocycles, 2000 , vol. 53, # 10 p. 2275 - 2278 |
| Precursor 1 | |
|---|---|
| DownStream 1 | |
