2-Thioxo-5-(1,3-benzodioxole-5-ylmethylene)hexahydropyrimidine-4,6-dione (CAS 74051-76-6) — formula C12H8N2O4S, molecular weight 276.27; category organic chemicals.
| CAS Number | 74051-76-6 |
|---|---|
| Molecular Formula | C12H8N2O4S |
| Molecular Weight | 276.27 |
| LogP | 1.4 |
| Category | Organic Chemicals |
2-Thioxo-5-(1,3-benzodioxole-5-ylmethylene)hexahydropyrimidine-4,6-dione is a carbon-based organic compound with CAS registry number 74051-76-6 and molecular formula C12H8N2O4S (molecular weight 276.27), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 74051-76-6
Its molecular formula C12H8N2O4S comprises 12 C, 8 H, 2 N, 4 O, 1 S atoms.
Also known as: 2-Thioxo-5-(1,3-benzodioxole-5-ylmethylene)hexahydropyrimidine-4,6-dione · 2-硫代-5-(1,3-苯并间二氧杂环戊烯-5-基亚甲基)六氢嘧啶-4,6-二酮
Category: organic chemicals
The CAS registry number of 2-Thioxo-5-(1,3-benzodioxole-5-ylmethylene)hexahydropyrimidine-4,6-dione is 74051-76-6.
Molecular formula C12H8N2O4S, molecular weight 276.27.
It is also registered under: 2-Thioxo-5-(1,3-benzodioxole-5-ylmethylene)hexahydropyrimidine-4,6-dione, 2-硫代-5-(1,3-苯并间二氧杂环戊烯-5-基亚甲基)六氢嘧啶-4,6-二酮.
Category: Organic Chemicals.
Independent reference data for 2-Thioxo-5-(1,3-benzodioxole-5-ylmethylene)hexahydropyrimidine-4,6-dione (CAS 74051-76-6), compiled from public chemistry databases.
| CAS 号 | 74051-76-6 |
|---|---|
| PubChem CID | 682139 |
| 分子式 | C12H8N2O4S |
| IUPAC 名称 | 5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| UNII（FDA） | 0FK14N4MJ0 |
| Molecular Weight | 276.27 |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 276.02047791 |
| Monoisotopic Mass | 276.02047791 |
| Topological Polar Surface Area | 109 |
| Heavy Atom Count | 19 |
5-Piperonylidene-2-thiobarbituric acid; 2(5H)-Pyrimidinethione, 4,6-dihydroxy-S-piperonylidene-; Barbituric acid, 5-piperonylidene-2-thio-; 4,6-Dihydroxy-5-piperonylidene-2(5H)-pyrimidinethione; NSC 89379; BRN 0274353; 0FK14N4MJ0; NSC-89379; UNII-0FK14N4MJ0; DTXSID90224975; 4-27-00-08857 (Beilstein Handbook Reference); 4,6(1H,5H)-Pyrimidinedione, 5-(1,3-benzodioxol-5-ylmethylene)dihydro-2-thioxo-; RefChem:103408; DTXCID20147466; 4,6(1H,5H)-Pyrimidinedione, 5-(1,3-benzodioxol-5-ylmethylene)dihydro-2-thioxo-(9CI); 74051-76-6
2-硫代-5-(1,3-苯并间二氧杂环戊烯-5-基亚甲基)六氢嘧啶-4,6-二酮 · CAS 74051-76-6 · C12H8N2O4S. UNII 0FK14N4MJ0.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.