当前位置: 首页 » 资料 » 化学物质数据库 » ZINC01189073,ST5032844, (5Z)-3-propan-2-yl-5-[(4-propan-2-ylphenyl)met

ZINC01189073,ST5032844, (5Z)-3-propan-2-yl-5-[(4-propan-2-ylphenyl)met

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:1
摘 要:ZINC01189073,ST5032844, (5Z)-3-propan-2-yl-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-,1,3-thiazolidin-4-one,Canonical SMILES: CC(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C(C)C,Isomeric SMILES: CC(C)C1=CC=C(C=C1)\C=C/2\C(=O)N(C(=S)S2)C(C)C,InChI:
[Synonyms]
ZINC01189073
ST5032844

[Structure]
ZINC01189073,ST5032844, (5Z)-3-propan-2-yl-5-[(4-propan-2-ylphenyl)met

[ Properties Computed from Structure]
Molecular Weight305.45816 [g/mol]
Molecular FormulaC16H19NOS2
XLogP4.1
H-Bond Donor0
H-Bond Acceptor1
Rotatable Bond Count3
Exact Mass305.090806
MonoIsotopic Mass305.090806
Topological Polar Surface Area20.3
Heavy Atom Count20
Formal Charge0
Complexity420
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count1
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (5Z)-3-propan-2-yl-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-
1,3-thiazolidin-4-one
Canonical SMILES: CC(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C(C)C
Isomeric SMILES: CC(C)C1=CC=C(C=C1)\C=C/2\C(=O)N(C(=S)S2)C(C)C
InChI: InChI=1/C16H19NOS2/c1-10(2)13-7-5-12(6-8-13)9-14-15(18)17(11(3)4)16(19)
20-14/h5-11H,1-4H3/b14-9-

 
本文导航:
  • (1) ZINC01189073,ST5032844, (5Z)-3-propan-2-yl-5-[(4-propan-2-ylphenyl)met
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注