当前位置: 首页 » 资料 » 化学物质数据库 » STOCK1S-43062,BAS 07417181,2,6-Diamino-4-(4-chloro-benzo[1,3]dioxol-5-

STOCK1S-43062,BAS 07417181,2,6-Diamino-4-(4-chloro-benzo[1,3]dioxol-5-

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:5
摘 要:STOCK1S-43062,BAS 07417181,2,6-Diamino-4-(4-chloro-benzo[1,3]dioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,,5-dicarbonitrile,Canonical SMILES: C1OC2=C(O1)C(=C(C=C2)C3C(=C(SC(=C3C#N)N)N)C#N)
[Synonyms]
STOCK1S-43062
BAS 07417181
2,6-Diamino-4-(4-chloro-benzo[1,3]dioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile

[Structure]
STOCK1S-43062,BAS 07417181,2,6-Diamino-4-(4-chloro-benzo[1,3]dioxol-5-

[ Properties Computed from Structure]
Molecular Weight332.76486 [g/mol]
Molecular FormulaC14H9ClN4O2S
XLogP1.8
H-Bond Donor2
H-Bond Acceptor6
Rotatable Bond Count1
Tautomer Count3
Exact Mass332.013474
MonoIsotopic Mass332.013474
Topological Polar Surface Area118
Heavy Atom Count22
Formal Charge0
Complexity620
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2,6-diamino-4-(4-chloro-1,3-benzodioxol-5-yl)-4H-thiopyran-3,
5-dicarbonitrile
Canonical SMILES: C1OC2=C(O1)C(=C(C=C2)C3C(=C(SC(=C3C#N)N)N)C#N)Cl
InChI: InChI=1/C14H9ClN4O2S/c15-11-6(1-2-9-12(11)21-5-20-9)10-7(3-16)13(18)22-
14(19)8(10)4-17/h1-2,10H,5,18-19H2

 
本文导航:
  • (1) STOCK1S-43062,BAS 07417181,2,6-Diamino-4-(4-chloro-benzo[1,3]dioxol-5-
  • 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