HCID522167

2-[(Ethylsulfanyl)methyl]phenol

2-(ethylsulfanylmethyl)phenol

C9H12OS168.26 g/molCAS 65370-06-1

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CCSCc1ccccc1O
InChIKey: QZBBPVLBIUUYRH-UHFFFAOYSA-N
分子式: C9H12OS
平均分子量: 168.26 g/mol
单同位素质量: 168.06088618

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 45.5 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 3
重原子: 11
形式电荷: 0
复杂度: 106

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

1404

ALIASES

名称与别名

共 19 条

2-[(Ethylsulfanyl)methyl]phenol65370-06-1alpha-(Ethylthio)-o-cresol2-(ethylsulfanylmethyl)phenolEthyl 2-hydroxybenzyl sulfide2-[(ethylthio)methyl]phenolPhenol, 2-[(ethylthio)methyl]-2-((Ethylthio)methyl)phenol2-ETHYLTHIOMETHYLPHENOLEINECS 265-720-1starbld00310602-ethylthiomethyl-phenolSCHEMBL9511130CHEBI:38487DTXSID409839842-[(Ethylsulfanyl)methyl]phenol #AKOS006277902NS00056179Q27117876

REACTIONS

参与反应

9 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看

uspto-grants-1982_11 · 10.6084/m9.figshare.5104873.v1 · US04358616

查看

uspto-grants-1982_11 · 10.6084/m9.figshare.5104873.v1 · US04358616

查看

uspto-grants-1982_11 · 10.6084/m9.figshare.5104873.v1 · US04358616

查看

uspto-grants-1982_11 · 10.6084/m9.figshare.5104873.v1 · US04358616

查看