Isoxazole, 3-methyl-5-[(methylsulfinyl)methyl]- (9CI) (CAS 84654-08-0) — formula C6H9NO2S, molecular weight 159.21; category organic chemicals.
Isoxazole, 3-methyl-5-[(methylsulfinyl)methyl]- (9CI) is a carbon-based organic compound with CAS registry number 84654-08-0 and molecular formula C6H9NO2S (molecular weight 159.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 84654-08-0
Its molecular formula C6H9NO2S comprises 6 C, 9 H, 1 N, 2 O, 1 S atoms.
Also known as: Isoxazole, 3-methyl-5-[(methylsulfinyl)methyl]- (9CI) · 异恶唑，3-甲基-5-[(甲基亚磺酰基)甲基]- (9Cl)
Category: organic chemicals
The CAS registry number of Isoxazole, 3-methyl-5-[(methylsulfinyl)methyl]- (9CI) is 84654-08-0.
Molecular formula C6H9NO2S, molecular weight 159.21.
It is also registered under: Isoxazole, 3-methyl-5-[(methylsulfinyl)methyl]- (9CI), 异恶唑，3-甲基-5-[(甲基亚磺酰基)甲基]- (9Cl).
Category: Organic Chemicals.
Public-database records for Isoxazole, 3-methyl-5-[(methylsulfinyl)methyl]- (9CI) (CAS 84654-08-0), reproduced here for independent cross-checking.
| CAS 号 | 84654-08-0 |
|---|---|
| PubChem CID | 13124946 |
| 分子式 | C6H9NO2S |
| IUPAC 名称 | 3-methyl-5-(methylsulfinylmethyl)-1,2-oxazole |
84654-08-0; DB-287749; Isoxazole, 3-methyl-5-[(methylsulfinyl)methyl]-
| 分子量 | 159.21 |
|---|---|
| XLogP3 | -0.1 |
| 氢键供体数 | 0 |
| 氢键受体数 | 4 |
| 可旋转键数 | 2 |
| 精确质量 | 159.03539970 |
| 单同位素质量 | 159.03539970 |
| 拓扑极性表面积 | 62.3 |
| 重原子数 | 10 |
| 形式电荷 | 0 |
异恶唑，3-甲基-5-[(甲基亚磺酰基)甲基]- (9Cl) · CAS 84654-08-0 · C6H9NO2S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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