5-Nitrobenzo[B]Thiophene-2-Carboxylic Acid 5-硝基-1-苯并噻吩-2-羧酸

CAS 6345-55-7 MFCD01159700

化学结构图

6345-55-7
SMILES: O=C(O)c1cc2cc([N+](=O)[O-])ccc2s1

化学属性

Mol. FormulaC9H5NO4S
Mol. Weight223.21
Melting Point239-241°C
Boiling Point473.6±25.0 °C at 760 mmHg

别名和识别编码

Chemical Name5-Nitrobenzo[B]Thiophene-2-Carboxylic Acid
CAS Number6345-55-7
Alfabeta NameNITROBENZOTHIOPHENECARBOXYLICACID 512-----
MDL NumberMFCD01159700
Chemical Name Translation5-硝基-1-苯并噻吩-2-羧酸
PubChem Substance ID238939
InChIInChI=1S/C9H5NO4S/c11-9(12)8-4-5-3-6(10(13)14)1-2-7(5)15-8/h1-4H,(H,11,12)
LabNetwork Molecule IDLN00148202
Synonym 5-Nitrobenzo[b]thiophene-2-carboxylic acid {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Nitrobenzo[b]thiophene-2-carboxy
Canonical SMILESO=C(C1=CC2=CC([N+]([O-])=O)=CC=C2S1)O
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分类

  • {KO} Nitros
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
1
H-bond Donors
1
LogP
1

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Benzothiophenes 苯并噻吩
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Heterocyclic Acids 杂环酸
  5. Thiophene Acids

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