8-(P-sulfophenyl)theophylline (CAS 80206-91-3) — formula C13H12N4O5S, molecular weight 336.33; category organic chemicals.
| CAS Number | 80206-91-3 |
|---|---|
| Molecular Formula | C13H12N4O5S |
| Molecular Weight | 336.33 |
| LogP | 1.6 |
| Category | Organic Chemicals |
8-(P-sulfophenyl)theophylline is a carbon-based organic compound with CAS registry number 80206-91-3 and molecular formula C13H12N4O5S (molecular weight 336.33), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 80206-91-3
Its molecular formula C13H12N4O5S comprises 13 C, 12 H, 4 N, 5 O, 1 S atoms.
Also known as: 8-(P-sulfophenyl)theophylline · 8-(对磺苯基)茶碱
Category: organic chemicals
The CAS registry number of 8-(P-sulfophenyl)theophylline is 80206-91-3.
Molecular formula C13H12N4O5S, molecular weight 336.33.
It is also registered under: 8-(P-sulfophenyl)theophylline, 8-(对磺苯基)茶碱.
Category: Organic Chemicals.
Independent reference data for 8-(P-sulfophenyl)theophylline (CAS 80206-91-3), compiled from public chemistry databases.
| CAS Registry Number | 80206-91-3 |
|---|---|
| PubChem CID | 1908 |
| Molecular formula | C13H12N4O5S |
| IUPAC name | 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid |
| UNII (FDA) | CHEMBL8488 |
| Molecular Weight | 336.33 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 336.05284067 |
| Monoisotopic Mass | 336.05284067 |
| Topological Polar Surface Area | 132 |
| Heavy Atom Count | 23 |
8-(p-Sulfophenyl)theophylline; 80206-91-3; Psp-theophylline; 8-Pspt; 8-(4-Sulfophenyl)theophylline; 8-Sulfophenyltheophylline; 8-Sulphophenyltheophylline; DTXSID90230152; Benzenesulfonic acid, 4-(2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)-; RefChem:106837; DTXCID90152643; 8-SPT; 4-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)benzenesulfonic acid; 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid; CHEMBL8488; 8(-p-Sulfophenyl)theophylline
8-(P-sulfophenyl)theophylline · CAS 80206-91-3 · C13H12N4O5S. UNII CHEMBL8488.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 8-(对磺苯基)茶碱