1-Fluoro-4-[(4-nitrophenyl)sulfanyl]benzene (4-氟苯基)(4-硝基苯基)硫烷

CAS 2438-85-9 MFCD04117815

化学结构图

2438-85-9
SMILES: O=[N+]([O-])c1ccc(Sc2ccc(F)cc2)cc1

化学属性

Mol. FormulaC12H8FNO2S
Mol. Weight249.26
Melting Point92-95 °C
Boiling Point408.3±30.0 °C at 760 mmHg

别名和识别编码

Chemical Name1-Fluoro-4-[(4-nitrophenyl)sulfanyl]benzene
CAS Number2438-85-9
Alfabeta NameFLUORONITROPHENYLSULFANYLBENZENE 144[]()----
MDL NumberMFCD04117815
Chemical Name Translation(4-氟苯基)(4-硝基苯基)硫烷
LabNetwork Molecule IDLN00148502
PubChem Substance ID2783059
InChIInChI=1S/C12H8FNO2S/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H
Synonym (4-Fluorophenyl)(4-nitrophenyl)sulfane {LY} (4-Fluorophenyl)(4-nitrophenyl)sulfane {} {LY} (4-Fluorophenyl)(4-nitrophenyl)sulfane {} {} {LY} (4-Fluorophenyl)(4-nitrophenyl)sulfane {} {} {} {LY} (4-Fluorophenyl)(4-nitrophenyl)sulfane {} {} {} {} {LY} (4-Fluorophenyl)(4-nitrophenyl)sulfane {} {} {} {} {} {LY} (4-Fluorophenyl)(4-nitrophenyl)sulfane {} {} {} {} {} {} {LY} (4-Fluorophenyl)(4-nitrophenyl)sulfane {} {} {} {} {} {} {} {LY} (4-Fluorophenyl)(4-nitrophenyl)sulfane {} {} {} {} {} {} {} {} {LY} (4-Fluorophenyl)(4-nitrophenyl)sulfane {} {} {} {} {} {} {} {} {} {LY} (4-Fluorophenyl)(4-nitrophenyl)sulfane {} {} {} {} {} {} {} {} {} {} {LY} (4-Fluorophenyl)(4-nitrophenyl)sulfane {} {} {} {} {} {} {} {} {} {} {} {LY} (4-Fluorophenyl)(4-nitrophenyl)sulfane {} {} {} {} {} {} {} {} {} {} {} {} {LY} (4-Fluorophenyl)(4-nitrophenyl)sulfane {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (4-Fluorophenyl)(4-nitrophenyl)sulfane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (4-
Canonical SMILESC1=C(C=CC(=C1)SC2=CC=C(C=C2)[N+](=O)[O-])F
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分类

  • {KO} Nitros

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
2
H-bond Donors
0
LogP
3

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物

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