4(3H)-Pyrimidinone,2-[(phenylmethyl)thio]- (CAS 31167-21-2) — formula C11H10N2OS, molecular weight 218.28; category organic chemicals.
| CAS Number | 31167-21-2 |
|---|---|
| Molecular Formula | C11H10N2OS |
| Molecular Weight | 218.28 |
| LogP | 1.7 |
| Category | Organic Chemicals |
4(3H)-Pyrimidinone,2-[(phenylmethyl)thio]- is a carbon-based organic compound with CAS registry number 31167-21-2 and molecular formula C11H10N2OS (molecular weight 218.28), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 31167-21-2
Its molecular formula C11H10N2OS comprises 11 C, 10 H, 2 N, 1 O, 1 S atoms.
Also known as: 4(3H)-Pyrimidinone,2-[(phenylmethyl)thio]- · 4(3H)-嘧啶酮,2-[(苯甲基)硫基]-
Category: organic chemicals
The CAS registry number of 4(3H)-Pyrimidinone,2-[(phenylmethyl)thio]- is 31167-21-2.
Molecular formula C11H10N2OS, molecular weight 218.28.
It is also registered under: 4(3H)-Pyrimidinone,2-[(phenylmethyl)thio]-, 4(3H)-嘧啶酮,2-[(苯甲基)硫基]-.
Category: Organic Chemicals.
Independent reference data for 4(3H)-Pyrimidinone,2-[(phenylmethyl)thio]- (CAS 31167-21-2), compiled from public chemistry databases.
| CAS 号 | 31167-21-2 |
|---|---|
| PubChem CID | 241186 |
| 分子式 | C11H10N2OS |
| IUPAC 名称 | 2-benzylsulfanyl-1H-pyrimidin-6-one |
| UNII（FDA） | ST45179820 |
| Molecular Weight | 218.28 |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 218.05138412 |
| Monoisotopic Mass | 218.05138412 |
| Topological Polar Surface Area | 66.8 |
| Heavy Atom Count | 15 |
31167-21-2; 2-(benzylsulfanyl)pyrimidin-4-ol; 2-(Benzylthio)pyrimidin-4(3H)-one; 2-(benzylsulfanyl)pyrimidin-4(3H)-one; 2-benzylsulfanyl-1H-pyrimidin-6-one; 2-(benzylsulfanyl)-3,4-dihydropyrimidin-4-one; NSC48408; 2-Benzylthiopyrimidon(4); 4(3H)-Pyrimidinone,2-[(phenylmethyl)thio]-; Cambridge id 5807670; CHEMBL1669068; SCHEMBL11338091; SCHEMBL16920959; 2-benzylthio-4-hydroxypyrimidine; DTXSID30286951; 2-(phenylmethylthio)pyrimidin-4-ol
| 已通报的危害声明 | H315 (100%), H318 (100%), H335 (100%) |
|---|
4(3H)-嘧啶酮,2-[(苯甲基)硫基]- · CAS 31167-21-2 · C11H10N2OS. UNII ST45179820.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4(3H)-嘧啶酮,2-[(苯甲基)硫基]-