3111-54-4 (2-苯硫基吡啶,2-Phenylthiopyridine)

快速询单

结构式：

2-苯硫基吡啶MOL文件

CAS号：

3111-54-4

中文名称：

2-苯硫基吡啶

英文名称：

2-Phenylthiopyridine

分子式：

C₁₁H₉NS

分子量：

187.260861158371

2-苯硫基吡啶(3111-54-4)名称与标识符

名称

中文别名：

2-苯硫基吡啶;2-苯基硫代吡啶;

英文别名：

2-Phenylthiopyridine;2-(phenylsulfanyl)pyridine;2-pyridyl phenyl sulfide;phenyl 2-pyridinyl sulfide;Phenyl 2-pyridyl sulfide;2-(Phenylthio)pyridine;pyridine, 2-(phenylthio)-;CHEMBL2131828;phenyl pyridin-2-yl sulfide;SCHEMBL2225278;3111-54-4;2-phenylsulfanylpyridine;HMS2804H22;J-506532;phenylthiopyridine;SMR000475755;AKOS006242737;MLS001180971;DWBYVHWWZMMIOT-UHFFFAOYSA-N;

标识符

InChIKey：

DWBYVHWWZMMIOT-UHFFFAOYSA-N

Inchi：

1S/C11H9NS/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-9H

SMILES：

S(C1C=CC=CN=1)C1C=CC=CC=1

2-苯硫基吡啶(3111-54-4)物化性质

实验特性

LogP : 3.23280
PSA : 38.19000

计算特性

精确分子量 : 187.04600
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 8
同位素质量 : 187.04557046g/mol
重原子数量 : 24
复杂度 : 389
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 : 1
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） : 5.3
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 38.2Å²

2-苯硫基吡啶(3111-54-4)上下游

2-(苯磺酰基)吡啶

2-苯硫基吡啶(3111-54-4)相关文献

1. Cycloauration of 2-substituted pyridine derivatives. Synthesis, structure and reactivity of six-membered cycloaurated complexes of 2-anilino-, 2-phenoxy- and 2-(phenylsulfanyl)-pyridine
Yoshio Fuchita,Hidenori Ieda,Arata Kayama,Junko Kinoshita-Nagaoka,Hiroyuki Kawano,Shingo Kameda,Masahiro Mikuriya J. Chem. Soc. Dalton Trans. 1998 4095
2. First intramolecular aromatic substitution by gold(III) of a ligand other than pyridine derivatives. Synthesis and crystal structure of the novel five-membered cycloaurated complex of 1-ethyl-2-phenylimidazole
Yoshio Fuchita,Hidenori Ieda,Mikio Yasutake J. Chem. Soc. Dalton Trans. 2000 271
3. Synthesis of polynuclear heterocycles. Part II. Cyclisations of 2- and 4-substituted 3-amino- and 3-nitro-pyridines
J. J. Eatough,L. S. Fuller,R. H. Good,R. K. Smalley J. Chem. Soc. C 1970 1874
4. Sulfur–silicon bond activation catalysed by Cl/Br ions: waste-free synthesis of unsymmetrical thioethers by replacing fluoride catalysis and fluorinated substrates in SNAr reactions
Xiaojuan Jia,Lei Yu,Jianping Liu,Qing Xu,Marcel Sickert,Lianhui Chen,Mark Lautens Green Chem. 2014 16 3444
5. Molybdenum(v)-mediated switching of the C(sp2)–Se bond of phenylselenyl-functionalized arenes or heterocycles under mild conditions
Ming Zhang,Beifang Nian,Zhibang Wu,Jianhua Guo,Zhuo Chen,Caifeng Yuan,Xuankun Huang,Yiwen Shen,Hongbin Zhang,E. Tang Chem. Commun. 2023 59 7599
6. Organogold(III) complexes derived from auration reactions of thienyl-substituted pyridine derivatives
Yoshio Fuchita,Hidenori Ieda,Shuichi Wada,Shingo Kameda,Masahiro Mikuriya J. Chem. Soc. Dalton Trans. 1999 4431
7. 1059. Alkylation of substituted methylpyridines
D. E. Ames,B. T. Warren J. Chem. Soc. 1964 5518
8. Polyhalogeno-aromatic compounds. Part XXVII. Reactions of polyhalogenopyridines and their N-oxides with benzenethiols, with nitrite, and with trialkyl phosphites, and of pentachloropyridine N-oxide with magnesium
Jack Bratt,Hans Suschitzky J. Chem. Soc. Perkin Trans. 1 1973 1689