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
SMILES: COc1ccc(C(=O)CSC#N)cc1
化学属性
| Mol. Formula | C10H9NO2S |
|---|---|
| Mol. Weight | 207.25 |
| Melting Point | 125-127 °C |
| Boiling Point | 395.6°C at 760 mmHg |
别名和识别编码
| Chemical Name | 1-(4-Methoxyphenyl)-2-Thiocyanatoethanone |
|---|---|
| CAS Number | 6097-26-3 |
| Alfabeta Name | METHOXYPHENYLOXOETHYLTHIOCYANATE 242()---- |
| MDL Number | MFCD01332833 |
| Chemical Name Translation | 1-(4-甲氧基苯基)-2-硫代氰基乙烷酮 |
| LabNetwork Molecule ID | LN00149697 |
| PubChem Substance ID | 5024568 |
| InChI | InChI=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-thiocyanatoethan |
| Canonical SMILES | COC1=CC=C(C=C1)C(=O)CSC#N |
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分类
- {KO} Misc
安全信息
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
