8,8'-Methylenebis[2,7-dihydro-1,3-dimethyl-2-thioxo-1H-purin-6(3H)-one] (CAS 1915-58-8) — formula C15H16N8O2S2, molecular weight 404.5; category organic chemicals.
| CAS Number | 1915-58-8 |
|---|---|
| Molecular Formula | C15H16N8O2S2 |
| Molecular Weight | 404.5 |
| LogP | 0.5 |
| Category | Organic Chemicals |
8,8'-Methylenebis[2,7-dihydro-1,3-dimethyl-2-thioxo-1H-purin-6(3H)-one] is a carbon-based organic compound with CAS registry number 1915-58-8 and molecular formula C15H16N8O2S2 (molecular weight 404.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1915-58-8
Its molecular formula C15H16N8O2S2 comprises 15 C, 16 H, 8 N, 2 O, 2 S atoms.
Also known as: 8,8'-Methylenebis[2,7-dihydro-1,3-dimethyl-2-thioxo-1H-purin-6(3H)-one] · 8,8'-亚甲基双[2,7-二氢-1,3-二甲基-2-硫代-1H-嘌呤-6(3H)-酮]
Category: organic chemicals
The CAS registry number of 8,8'-Methylenebis[2,7-dihydro-1,3-dimethyl-2-thioxo-1H-purin-6(3H)-one] is 1915-58-8.
Molecular formula C15H16N8O2S2, molecular weight 404.5.
It is also registered under: 8,8'-Methylenebis[2,7-dihydro-1,3-dimethyl-2-thioxo-1H-purin-6(3H)-one], 8,8'-亚甲基双[2,7-二氢-1,3-二甲基-2-硫代-1H-嘌呤-6(3H)-酮].
Category: Organic Chemicals.
Independent reference data for 8,8'-Methylenebis[2,7-dihydro-1,3-dimethyl-2-thioxo-1H-purin-6(3H)-one] (CAS 1915-58-8), compiled from public chemistry databases.
| CAS 号 | 1915-58-8 |
|---|---|
| PubChem CID | 96985 |
| 分子式 | C15H16N8O2S2 |
| IUPAC 名称 | 8-[(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)methyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one |
| UNII（FDA） | 4FSN526LYU |
| Molecular Weight | 404.5 |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 404.08376413 |
| Monoisotopic Mass | 404.08376413 |
| Topological Polar Surface Area | 169 |
| Heavy Atom Count | 27 |
1915-58-8; Theophylline, 8,8'-methylenebis(2-thio-; 4FSN526LYU; NSC 95911; BRN 1190517; 8,8'-Methylene-bis-(2-thiotheophylline); NSC-95911; UNII-4FSN526LYU; 8,8'-Methylenebis(2-thio-theophylline; DTXSID60172671; RefChem:199207; DTXCID6095162; NSC95911; 8-[(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)methyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one; 8,8/'-Methylenebis[2,7-dihydro-1,3-dimethyl-2-thioxo-1H-purin-6(3H)-one]; Theophylline,8'-methylenebis[2-thio-
8,8'-亚甲基双[2,7-二氢-1,3-二甲基-2-硫代-1H-嘌呤-6(3H)-酮] · CAS 1915-58-8 · C15H16N8O2S2. UNII 4FSN526LYU.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.