HCID3034797

3-Amino-2-[(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-mercapto-2-propenenitrile

2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethioamide

C10H8N2O2S220.25 g/molCAS 118409-60-2

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: N#CC(=Cc1ccc(O)c(O)c1)C(N)=S
InChIKey: ZGHQGWOETPXKLY-UHFFFAOYSA-N
分子式: C10H8N2O2S
平均分子量: 220.25 g/mol
单同位素质量: 220.03064868

COMPUTED

结构计算性质

已同步

XLogP: 1
极性表面积: 122 Å²
氢键供体: 3
氢键受体: 4
可旋转键: 2
重原子: 15
形式电荷: 0
复杂度: 332

ALIASES

名称与别名

共 40 条

2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethioamideTyrphostin AG 2133-amino-2-[(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-mercapto-2-propenenitrileRG 50864;Tyrphostin A 473,4-Dihydroxy-alpha-cyanothiocinnamamideAG213;AG-213;AG 213RG 50864(Z)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethioamideCBiol_002060KBioGR_000112KBioSS_000112SCHEMBL239295orb1702706SCHEMBL1704818SCHEMBL6520432CHEMBL1408526SCHEMBL29378969KBio2_000112KBio2_002680KBio2_005248

REACTIONS

参与反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看

uspto-grants-2005_07 · 10.6084/m9.figshare.5104873.v1 · USRE038761E1

查看

uspto-grants-1993_06 · 10.6084/m9.figshare.5104873.v1 · US05217999

查看