212711-24-5 ((9ci)-2-甲基-苯并噻唑,Benzothiazole,2-methyl-, hydriodide (1:1))

快速询单

结构式：

(9ci)-2-甲基-苯并噻唑MOL文件

CAS号：

212711-24-5

中文名称：

(9ci)-2-甲基-苯并噻唑

英文名称：

Benzothiazole,2-methyl-, hydriodide (1:1)

分子式：

C₈H₈INS

分子量：

277.125292778015

(9ci)-2-甲基-苯并噻唑(212711-24-5)名称与标识符

名称

中文别名：

(9ci)-2-甲基-苯并噻唑;

英文别名：

Benzothiazole,2-methyl-, hydriodide (1:1);Benzothiazole,2-methyl-, hydriodide (9CI);212711-24-5;Benzothiazole,2-methyl-,hydriodide(9ci);

标识符

InChIKey：

BMQJRIYFDKCMHX-UHFFFAOYSA-N

Inchi：

1S/C8H7NS.HI/c1-6-9-7-4-2-3-5-8(7)10-6;/h2-5H,1H3;1H

SMILES：

I.S1C(C)=NC2C=CC=CC1=2

(9ci)-2-甲基-苯并噻唑(212711-24-5)物化性质

计算特性

精确分子量 : 276.942
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 276.942
重原子数量 : 11
复杂度 : 126
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 : 2
拓扑分子极性表面积 : 42.4A^2

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212711-24-5 ((9ci)-2-甲基-苯并噻唑,Benzothiazole,2-methyl-, hydriodide (1:1))

(9ci)-2-甲基-苯并噻唑(212711-24-5)名称与标识符

名称

标识符

(9ci)-2-甲基-苯并噻唑(212711-24-5)物化性质

计算特性

(9ci)-2-甲基-苯并噻唑(212711-24-5)相关文献

目录