5-Bromo-4-thioxo-3,4-dihydro-1H-pyrimidin-2-one (CAS 72812-45-4) — formula C4H3BrN2OS, molecular weight 207.05; category organic chemicals.
| CAS Number | 72812-45-4 |
|---|---|
| Molecular Formula | C4H3BrN2OS |
| Molecular Weight | 207.05 |
| LogP | 0.4 |
| Category | Organic Chemicals |
5-Bromo-4-thioxo-3,4-dihydro-1H-pyrimidin-2-one is a carbon-based organic compound with CAS registry number 72812-45-4 and molecular formula C4H3BrN2OS (molecular weight 207.05), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72812-45-4
Its molecular formula C4H3BrN2OS comprises 4 C, 3 H, 1 Br, 2 N, 1 O, 1 S atoms.
Also known as: 5-Bromo-4-thioxo-3,4-dihydro-1H-pyrimidin-2-one · 5-溴-4-硫代-3,4-二氢-1H-嘧啶-2-酮
Category: organic chemicals
The CAS registry number of 5-Bromo-4-thioxo-3,4-dihydro-1H-pyrimidin-2-one is 72812-45-4.
Molecular formula C4H3BrN2OS, molecular weight 207.05.
It is also registered under: 5-Bromo-4-thioxo-3,4-dihydro-1H-pyrimidin-2-one, 5-溴-4-硫代-3,4-二氢-1H-嘧啶-2-酮.
Category: Organic Chemicals.
Independent reference data for 5-Bromo-4-thioxo-3,4-dihydro-1H-pyrimidin-2-one (CAS 72812-45-4), compiled from public chemistry databases.
| CAS 号 | 72812-45-4 |
|---|---|
| PubChem CID | 4554456 |
| 分子式 | C4H3BrN2OS |
| IUPAC 名称 | 5-bromo-4-sulfanylidene-1H-pyrimidin-2-one |
| Molecular Weight | 207.05 |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 205.91495 |
| Monoisotopic Mass | 205.91495 |
| Topological Polar Surface Area | 73.2 |
| Heavy Atom Count | 9 |
72812-45-4; 5-Bromo-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one; 5-bromo-4-sulfanylidene-1H-pyrimidin-2-one; NSC46966; 5-bromo-4-thiouracil; DTXSID60404202; NSC-46966; 5-bromo-4-thioxo-3,4-dihydropyrimidin-2(1H)-one; 2(1H)-pyrimidinone, 5-bromo-3,4-dihydro-4-thioxo-; InChI=1/C4H3BrN2OS/c5-2-1-6-4(8)7-3(2)9/h1H,(H2,6,7,8,9
5-溴-4-硫代-3,4-二氢-1H-嘧啶-2-酮 · CAS 72812-45-4 · C4H3BrN2OS.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.