18453-46-8 (苯，[（S）-甲基亚磺酰基]-,Benzene, [(S)-methylsulfinyl]-)

快速询单

结构式：

苯，[（S）-甲基亚磺酰基]-MOL文件

CAS号：

18453-46-8

中文名称：

苯，[（S）-甲基亚磺酰基]-

英文名称：

Benzene, [(S)-methylsulfinyl]-

分子式：

C₇H₈OS

分子量：

140.202820777893

苯，[（S）-甲基亚磺酰基]-(18453-46-8)名称与标识符

名称

英文别名：

Benzene, [(S)-methylsulfinyl]-;SCHEMBL3383118;(-)-Methyl phenyl sulfoxide;[(S)-methylsulfinyl]benzene;18453-46-8;(s)-phenyl methyl sulfoxide;MFCD17019502;SB47828;(S)-(Methylsulfinyl)benzene;DTXSID70452895;IH0;(S)-Methyl phenylsulfoxide;

标识符

InChIKey：

JXTGICXCHWMCPM-VIFPVBQESA-N

Inchi：

1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m0/s1

SMILES：

[S@](C)(C1C=CC=CC=1)=O

苯，[（S）-甲基亚磺酰基]-(18453-46-8)物化性质

实验特性

PSA : 17.07

计算特性

精确分子量 : 140.02964
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 1
同位素质量 : 140.02958605g/mol
重原子数量 : 9
复杂度 : 106
同位素原子数量 : 0
确定原子立构中心数量 : 1
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 : 36.3Å²

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