8,8'-Trimethylenebis(1,2,3,7-tetrahydro-1,3-dimethyl-2-thioxo-6H-purin-6-one) (CAS 6466-29-1) — formula C17H20N8O2S2, molecular weight 432.5; category organic chemicals.
| CAS Number | 6466-29-1 |
|---|---|
| Molecular Formula | C17H20N8O2S2 |
| Molecular Weight | 432.5 |
| LogP | 1.2 |
| Category | Organic Chemicals |
8,8'-Trimethylenebis(1,2,3,7-tetrahydro-1,3-dimethyl-2-thioxo-6H-purin-6-one) is a carbon-based organic compound with CAS registry number 6466-29-1 and molecular formula C17H20N8O2S2 (molecular weight 432.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6466-29-1
Its molecular formula C17H20N8O2S2 comprises 17 C, 20 H, 8 N, 2 O, 2 S atoms.
Also known as: 8,8'-Trimethylenebis(1,2,3,7-tetrahydro-1,3-dimethyl-2-thioxo-6H-purin-6-one) · 8,8'-三亚甲基双(1,2,3,7-四氢-1,3-二甲基-2-硫代-6H-嘌呤-6-酮)
Category: organic chemicals
The CAS registry number of 8,8'-Trimethylenebis(1,2,3,7-tetrahydro-1,3-dimethyl-2-thioxo-6H-purin-6-one) is 6466-29-1.
Molecular formula C17H20N8O2S2, molecular weight 432.5.
It is also registered under: 8,8'-Trimethylenebis(1,2,3,7-tetrahydro-1,3-dimethyl-2-thioxo-6H-purin-6-one), 8,8'-三亚甲基双(1,2,3,7-四氢-1,3-二甲基-2-硫代-6H-嘌呤-6-酮).
Category: Organic Chemicals.
Independent reference data for 8,8'-Trimethylenebis(1,2,3,7-tetrahydro-1,3-dimethyl-2-thioxo-6H-purin-6-one) (CAS 6466-29-1), compiled from public chemistry databases.
| CAS 号 | 6466-29-1 |
|---|---|
| PubChem CID | 96991 |
| 分子式 | C17H20N8O2S2 |
| IUPAC 名称 | 8-[3-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)propyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one |
| UNII（FDA） | C3VVU6VH6N |
| Molecular Weight | 432.5 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 432.11506426 |
| Monoisotopic Mass | 432.11506426 |
| Topological Polar Surface Area | 169 |
| Heavy Atom Count | 29 |
6466-29-1; Theophylline, 8,8'-trimethylenebis(2-thio-; C3VVU6VH6N; NSC 95921; BRN 1193815; 8,8'-Trimethylenebis(2-thiotheophylline); UNII-C3VVU6VH6N; NSC-95921; 8,8'-Trimethylenebis(2-thio-theophylline; DTXSID50214933; 8,8'-Trimethylenebis[2-thiotheophylline]; RefChem:199208; DTXCID80137424; NSC95921; Theophylline,8'-trimethylenebis[2-thio-; 8,8'-(Propane-1,3-diyl)bis(1,3-dimethyl-2-sulfanylidene-1,2,3,7-tetrahydro-6H-purin-6-one)
8,8'-三亚甲基双(1,2,3,7-四氢-1,3-二甲基-2-硫代-6H-嘌呤-6-酮) · CAS 6466-29-1 · C17H20N8O2S2. UNII C3VVU6VH6N.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.