1-(4-Methoxyphenyl)-2-Thiocyanatoethanone 1-(4-甲氧基苯基)-2-硫代氰基乙烷酮

CAS 6097-26-3 MFCD01332833

化学结构图

6097-26-3
SMILES: COc1ccc(C(=O)CSC#N)cc1

化学属性

Mol. FormulaC10H9NO2S
Mol. Weight207.25
Melting Point125-127 °C
Boiling Point395.6°C at 760 mmHg

别名和识别编码

Chemical Name1-(4-Methoxyphenyl)-2-Thiocyanatoethanone
CAS Number6097-26-3
Alfabeta NameMETHOXYPHENYLOXOETHYLTHIOCYANATE 242()----
MDL NumberMFCD01332833
Chemical Name Translation1-(4-甲氧基苯基)-2-硫代氰基乙烷酮
LabNetwork Molecule IDLN00149697
PubChem Substance ID5024568
InChIInChI=1S/C10H9NO2S/c1-13-9-4-2-8(3-5-9)10(12)6-14-7-11/h2-5H,6H2,1H3
Synonym 1-(4-Methoxyphenyl)-2-thiocyanatoethanone {LY} 1-(4-Methoxyphenyl)-2-thiocyanatoethanone {} {LY} 1-(4-Methoxyphenyl)-2-thiocyanatoethanone {} {} {LY} 1-(4-Methoxyphenyl)-2-thiocyanatoethanone {} {} {} {LY} 1-(4-Methoxyphenyl)-2-thiocyanatoethanone {} {} {} {} {LY} 1-(4-Methoxyphenyl)-2-thiocyanatoethanone {} {} {} {} {} {LY} 1-(4-Methoxyphenyl)-2-thiocyanatoethanone {} {} {} {} {} {} {LY} 1-(4-Methoxyphenyl)-2-thiocyanatoethanone {} {} {} {} {} {} {} {LY} 1-(4-Methoxyphenyl)-2-thiocyanatoethanone {} {} {} {} {} {} {} {} {LY} 1-(4-Methoxyphenyl)-2-thiocyanatoethanone {} {} {} {} {} {} {} {} {} {LY} 1-(4-Methoxyphenyl)-2-thiocyanatoethanone {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Methoxyphenyl)-2-thiocyanatoethanone {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Methoxyphenyl)-2-thiocyanatoethanone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Methoxyphenyl)-2-thiocyanatoethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Methoxyphenyl)-2-thiocyanatoethanone {} {}
Canonical SMILESCOC1=CC=C(C=C1)C(=O)CSC#N
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分类

  • {KO} Misc

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
4
H-bond Donors
0
LogP
1

系列性分类

  1. Functional Group 官能团索引
  2. thiocyanate

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