当前位置: 首页 » 资料 » 化学物质数据库 » MLS001164683,SMR000539746,ST5061689, 4-[(2-bromophenyl)methylideneamin

MLS001164683,SMR000539746,ST5061689, 4-[(2-bromophenyl)methylideneamin

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:6
摘 要:MLS001164683,SMR000539746,ST5061689, 4-[(2-bromophenyl)methylideneamino]-5-cyclohexyl-2H-1,2,,4-triazole-3-thione,Canonical SMILES: C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=CC=C3Br,InChI: InChI=1/C15H17BrN4S/c16-13-9-5-4-8-12(13)10-17-20-14(18-19-15(20)21)11-,
[Synonyms]
MLS001164683
SMR000539746
ST5061689

[Structure]
MLS001164683,SMR000539746,ST5061689, 4-[(2-bromophenyl)methylideneamin

[ Properties Computed from Structure]
Molecular Weight365.29128 [g/mol]
Molecular FormulaC15H17BrN4S
XLogP5.5
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count3
Tautomer Count2
Exact Mass364.03573
MonoIsotopic Mass364.03573
Topological Polar Surface Area40
Heavy Atom Count21
Formal Charge0
Complexity445
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-[(2-bromophenyl)methylideneamino]-5-cyclohexyl-2H-1,2,
4-triazole-3-thione
Canonical SMILES: C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=CC=C3Br
InChI: InChI=1/C15H17BrN4S/c16-13-9-5-4-8-12(13)10-17-20-14(18-19-15(20)21)11-
6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,19,21)/f/h19H

 
本文导航:
  • (1) MLS001164683,SMR000539746,ST5061689, 4-[(2-bromophenyl)methylideneamin
  • 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