36993-90-5 (1,2,4-噻嗪-5(4H)-酮,1,2,4-Triazin-5(2H)-one)

快速询单

结构式：

1,2,4-噻嗪-5(4H)-酮MOL文件

CAS号：

36993-90-5

中文名称：

1,2,4-噻嗪-5(4H)-酮

英文名称：

1,2,4-Triazin-5(2H)-one

分子式：

C₃H₃N₃O

分子量：

97.0754196643829

1,2,4-噻嗪-5(4H)-酮(36993-90-5)名称与标识符

名称

中文别名：

1,2,4-噻嗪-5(4H)-酮;

英文别名：

1,2,4-Triazin-5(2H)-one;SY342419;DB-345475;134434-30-3;1,2,4-Triazin-5(4H)-one;36993-90-5;DTXSID401034854;MFCD19216546;1,2,4-triazin-5-one;AKOS006349681;134434-29-0;SB73582;F30273;1,2,4-Triazin-5-ol;

标识符

InChIKey：

BFNNILAMSKQDRN-UHFFFAOYSA-N

Inchi：

1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)

SMILES：

O=C1C=NN=CN1

1,2,4-噻嗪-5(4H)-酮(36993-90-5)物化性质

实验特性

PSA : 53.82

计算特性

精确分子量 : 97.02769
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 0
同位素质量 : 97.027611728g/mol
重原子数量 : 7
复杂度 : 137
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : -0.6
拓扑分子极性表面积 : 53.8Å²

1,2,4-噻嗪-5(4H)-酮(36993-90-5)推荐厂家更多厂家(1)

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上海楷森生物科技有限公司	17558870519 175-58870519	赵经理	3003926540		询单

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