2,3-dihydro-5-(methylthio)-3-oxo-4-isothiazolecarbonitrile (CAS 4886-02-6) — formula C5H4N2OS2, molecular weight 172.2; category organic chemicals.
2,3-dihydro-5-(methylthio)-3-oxo-4-isothiazolecarbonitrile is a carbon-based organic compound with CAS registry number 4886-02-6 and molecular formula C5H4N2OS2 (molecular weight 172.2), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4886-02-6
Its molecular formula C5H4N2OS2 comprises 5 C, 4 H, 2 N, 1 O, 2 S atoms.
Also known as: 2,3-dihydro-5-(methylthio)-3-oxo-4-isothiazolecarbonitrile · 4-氰基-3-羟基-5-甲硫异噻唑
Category: organic chemicals
The CAS registry number of 2,3-dihydro-5-(methylthio)-3-oxo-4-isothiazolecarbonitrile is 4886-02-6.
Molecular formula C5H4N2OS2, molecular weight 172.2.
It is also registered under: 2,3-dihydro-5-(methylthio)-3-oxo-4-isothiazolecarbonitrile, 4-氰基-3-羟基-5-甲硫异噻唑.
Category: Organic Chemicals.
Public-database records for 2,3-dihydro-5-(methylthio)-3-oxo-4-isothiazolecarbonitrile (CAS 4886-02-6), reproduced here for independent cross-checking.
| 已通报的危害声明 | H302 (100%), H312 (100%), H315 (100%), H319 (100%), H332 (100%), H335 (100%) |
|---|
| CAS 号 | 4886-02-6 |
|---|---|
| PubChem CID | 707085 |
| 分子式 | C5H4N2OS2 |
| IUPAC 名称 | 5-methylsulfanyl-3-oxo-1,2-thiazole-4-carbonitrile |
| UNII（FDA） | HMS1550B20 |
4886-02-6; 3-hydroxy-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile; DTXSID90351694; RefChem:279892; DTXCID70302760; 4-cyano-3-hydroxy-5-methylthioisothiazole; 5-methylsulfanyl-3-oxo-1,2-thiazole-4-carbonitrile; 3-hydroxy-5-(methylsulfanyl)-4-isothiazolecarbonitrile; MFCD00172842; 4-Isothiazolecarbonitrile, 2,3-dihydro-5-(methylthio)-3-oxo-; 5-(methylsulfanyl)-3-oxo-2,3-dihydro-1,2-thiazole-4-carbonitrile; TimTec1_005674; C5H4N2OS2; SCHEMBL5639428; SCHEMBL7209638; SCHEMBL9332731
| 分子量 | 172.2 |
|---|---|
| XLogP3 | 0.5 |
| 氢键供体数 | 1 |
| 氢键受体数 | 4 |
| 可旋转键数 | 1 |
| 精确质量 | 171.97650510 |
| 单同位素质量 | 171.97650510 |
| 拓扑极性表面积 | 103 |
| 重原子数 | 10 |
| 形式电荷 | 0 |
4-氰基-3-羟基-5-甲硫异噻唑 · CAS 4886-02-6 · C5H4N2OS2. UNII HMS1550B20.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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