17551-76-7 (N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide,N,n'-bis(2-piperazin-1-ylethyl)ethanedithioamide)

CAS号:
17551-76-7
中文名称:
N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide
英文名称:
N,n'-bis(2-piperazin-1-ylethyl)ethanedithioamide
分子式:
C14H28N6S2
分子量:
344.542319297791

N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide(17551-76-7)名称与标识符

名称

英文别名:
N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide;CTK8H2756;BRN 0821507;NSC50077;AC1MHXN4;Piperazine, 1,1-dithiooxalyldiiminodiethylenedi-;N,N'-bis-(2-piperazinoethyl)-dithiooxamide;LS-111988;N,N'-Bis[2-(1-piperazinyl)ethyl]ethanebisthioamide;N,N'-Bis(N-.beta.-piperazinoethyl)-dithiooxamide;17551-76-7;N,N'-Bis(N-beta-piperazinoethyl)-dithiooxamide;DTXSID10169995;ETHANEDITHIOAMIDE, N1,N2-BIS(2-(1-PIPERAZINYL)ETHYL)-;Oxamide,N'-bis[2-(1-piperazinyl)ethyl]dithio-;WLN: T6M DNTJ D2MYUS&YUS&M2- DT6M DNTJ;AKOS024332350;NSC-50077;Oxamide, N,N'-bis(2-(1-piperazinyl)ethyl)dithio-;N,N/'-Bis[2-(1-piperazinyl)ethyl]ethanebisthioamide;VAA7M51BMB;N1,N2-Bis(2-(1-piperazinyl)ethyl)ethanedithioamide;NSC 50077;SCHEMBL15334088;UNII-VAA7M51BMB;Piperazine,1-dithiooxalyldiiminodiethylenedi-;

标识符

InChIKey:
VHQRNZLMFMSUFY-UHFFFAOYSA-N
Inchi:
1S/C14H28N6S2/c21-13(17-5-11-19-7-1-15-2-8-19)14(22)18-6-12-20-9-3-16-4-10-20/h15-16H,1-12H2,(H,17,21)(H,18,22)
SMILES:
S=C(C(NCCN1CCNCC1)=S)NCCN1CCNCC1

N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide(17551-76-7)物化性质

实验特性

  • PSA : 54.6

计算特性

  • 精确分子量 : 344.18204
  • 氢键供体数量 : 4
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 6
  • 同位素质量 : 344.18168727g/mol
  • 重原子数量 : 22
  • 复杂度 : 319
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -0.8
  • 拓扑分子极性表面积 : 119Ų