25423-58-9 ((1,5,9-Trithiacyclododecane)

CAS号:
25423-58-9
英文名称:
1,5,9-Trithiacyclododecane
分子式:
C9H18S3
分子量:
222.434218883514

1,5,9-Trithiacyclododecane(25423-58-9)名称与标识符

名称

英文别名:
1,5,9-trithiacyclododecane;SCHEMBL8718683;DTXSID40446867;25423-58-9;AKOS016035285;DTXCID40397688;

标识符

InChIKey:
RKXDUCPQHPNLIB-UHFFFAOYSA-N
Inchi:
1S/C9H18S3/c1-4-10-6-2-8-12-9-3-7-11-5-1/h1-9H2
SMILES:
S1CCCSCCCSCCC1

1,5,9-Trithiacyclododecane(25423-58-9)物化性质

计算特性

  • 精确分子量 : 222.05706409Da
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 0
  • 同位素质量 : 222.05706409Da
  • 重原子数量 : 12
  • 复杂度 : 70.8
  • 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) : 3
  • 拓扑分子极性表面积 : 75.9Ų

1,5,9-Trithiacyclododecane(25423-58-9)相关文献

  • 1. Functionalised thioether macrocycles: synthesis of 1,5,9-trithiacyclododecane-3,7,11-triol (HO)3[12]aneS3
    Neil R. Champness,Duncan W. Bruce,Martin Schr?der New J. Chem. 1999 23 671
  • 2. Crown thioether chemistry. Synthesis and structural investigation of 1,5,9-trithiacyclododecane (trithia-12-crown-3) and its copper(II) chloride adduct
    Simon C. Rawle,Gary A. Admans,Stephen R. Cooper J. Chem. Soc. Dalton Trans. 1988 93
  • 3. Co-ordination of the crown thioether 2,5,8-trithia[9]-o-benzenophane (L1). Synthesis and crystal structures of [CuL1(CI)] and [NiL1 2][BF4]2
    Lluis Escriche,María-Pilar Almajano,Jaume Casabó,Francesc Teixidor,Jordi Rius,Carlos Miravitlles,Raikko Kivek?s,Reijo Sillamp?? 2][BF4]2. Lluis Escriche María-Pilar Almajano Jaume Casabó Francesc Teixidor Jordi Rius Carlos Miravitlles Raikko Kivek?s Reijo Sillamp?? J. Chem. Soc. Dalton Trans. 1993 2969
  • 4. Macrocyclic ligands designed to impose tetrahedral coordination: [1-(3-dimethylaminopropyl)-1,5,9-triazacyclododecane], L1, [1{2-(pyrrolidin-1-yl)ethyl}-1,5,9-triazacyclododecane], L2, and their zinc(II) complexes
    Nathaniel W. Alcock,Andrew C. Benniston,Peter Moore,Graham A. Pike,Simon C. Rawle J. Chem. Soc. Chem. Commun. 1991 706
  • 5. Macrocyclic ligands designed to impose tetrahedral coordination: [1-(3-dimethylaminopropyl)-1,5,9-triazacyclododecane], L1, [1{2-(pyrrolidin-1-yl)ethyl}-1,5,9-triazacyclododecane], L2, and their zinc(II) complexes
    Nathaniel W. Alcock,Andrew C. Benniston,Peter Moore,Graham A. Pike,Simon C. Rawle J. Chem. Soc. Chem. Commun. 1991 706
  • 6. Macrocyclic ligands designed to impose tetrahedral coordination: [1-(3-dimethylaminopropyl)-1,5,9-triazacyclododecane], L1, [1{2-(pyrrolidin-1-yl)ethyl}-1,5,9-triazacyclododecane], L2, and their zinc(II) complexes
    Nathaniel W. Alcock,Andrew C. Benniston,Peter Moore,Graham A. Pike,Simon C. Rawle J. Chem. Soc. Chem. Commun. 1991 706
  • 7. Synthesis, spectroscopic and redox properties of ruthenium complexes with selenoether macrocycles: crystal structures of cis-[RuCl2([16]aneSe4)] and trans-[RuCl(PPh3)([16]aneSe4)]PF6 ([16]aneSe4?=?1,5,9,13-tetraselenacyclohexadecane)
    William Levason,Jeffrey J. Quirk,Gillian Reid,Stephen M. Smith J. Chem. Soc. Dalton Trans. 1997 3719
  • 8. Synthesis, spectroscopic and redox properties of ruthenium complexes with selenoether macrocycles: crystal structures of cis-[RuCl2([16]aneSe4)] and trans-[RuCl(PPh3)([16]aneSe4)]PF6 ([16]aneSe4?=?1,5,9,13-tetraselenacyclohexadecane)
    William Levason,Jeffrey J. Quirk,Gillian Reid,Stephen M. Smith J. Chem. Soc. Dalton Trans. 1997 3719
  • 9. Syntheses, characterization and redox properties of homoleptic ruthenium(ii)–diphosphine and diarsine complexes: deviations from ligand additivity
    Annemarie A. La Pensée,Jamie Bickley,Simon J. Higgins,Massimo Marcaccio,Francesco Paolucci,Sergio Roffia,John M. Charnock J. Chem. Soc. Dalton Trans. 2002 4095
  • 10. Synthesis and structural characterization of crown thioether complexes of silver(I) and copper(II)
    Megumu Munakata,Liang Ping Wu,Mikiko Yamamoto,Takayoshi Kuroda-Sowa,Masahiko Maekawa J. Chem. Soc. Dalton Trans. 1995 3215