Theophylline, 8-[(benzylthio)methyl] (CAS 6466-43-9) — formula C15H16N4O2S, molecular weight 316.4; category organic chemicals.
| CAS Number | 6466-43-9 |
|---|---|
| Molecular Formula | C15H16N4O2S |
| Molecular Weight | 316.4 |
| LogP | 1.6 |
| Category | Organic Chemicals |
Theophylline, 8-[(benzylthio)methyl] is a carbon-based organic compound with CAS registry number 6466-43-9 and molecular formula C15H16N4O2S (molecular weight 316.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6466-43-9
Its molecular formula C15H16N4O2S comprises 15 C, 16 H, 4 N, 2 O, 1 S atoms.
Also known as: Theophylline, 8-[(benzylthio)methyl] · 化合物 TPBM
Category: organic chemicals
The CAS registry number of Theophylline, 8-[(benzylthio)methyl] is 6466-43-9.
Molecular formula C15H16N4O2S, molecular weight 316.4.
It is also registered under: Theophylline, 8-[(benzylthio)methyl], 化合物 TPBM.
Category: Organic Chemicals.
Independent reference data for Theophylline, 8-[(benzylthio)methyl] (CAS 6466-43-9), compiled from public chemistry databases.
| CAS 号 | 6466-43-9 |
|---|---|
| PubChem CID | 262425 |
| 分子式 | C15H16N4O2S |
| IUPAC 名称 | 8-(benzylsulfanylmethyl)-1,3-dimethyl-7H-purine-2,6-dione |
| Molecular Weight | 316.4 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 316.09939694 |
| Monoisotopic Mass | 316.09939694 |
| Topological Polar Surface Area | 94.6 |
| Heavy Atom Count | 22 |
TPBM; 6466-43-9; NSC95910; 8-(benzylsulfanylmethyl)-1,3-dimethyl-7H-purine-2,6-dione; MLS002703320; 8-Benzylsulfanylmethyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; NSC-95910; 8-[(benzylsulfanyl)methyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione; NCIStruc1_001567; NCIStruc2_001461; orb1689205; orb3032991; SCHEMBL4226426; CHEMBL1329166; DTXSID40294345; NCI95910
化合物 TPBM · CAS 6466-43-9 · C15H16N4O2S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 化合物 TPBM