2-Chloro-6-Benzothiazolecarboxylic Acid 2-氯-6-苯并噻唑羧酸

CAS 3855-95-6 MFCD08689736

化学结构图

3855-95-6
SMILES: O=C(O)c1ccc2nc(Cl)sc2c1

化学属性

Mol. FormulaC8H4ClNO2S
Mol. Weight213.65
Melting Point220-221°C
Boiling Point398.2°C at 760 mmHg

别名和识别编码

Chemical Name2-Chloro-6-Benzothiazolecarboxylic Acid
CAS Number3855-95-6
Alfabeta NameCHLOROBENZOTHIAZOLECARBOXYLICACID 2136-----,
MDL NumberMFCD08689736
Synonym 2-Chloro-6-benzothiazolecarboxylic acid {LY} 2-Chloro-6-benzothiazolecarboxylic acid {} {LY} 2-Chloro-6-benzothiazolecarboxylic acid {} {} {LY} 2-Chloro-6-benzothiazolecarboxylic acid {} {} {} {LY} 2-Chloro-6-benzothiazolecarboxylic acid {} {} {} {} {LY} 2-Chloro-6-benzothiazolecarboxylic acid {} {} {} {} {} {LY} 2-Chloro-6-benzothiazolecarboxylic acid {} {} {} {} {} {} {LY} 2-Chloro-6-benzothiazolecarboxylic acid {} {} {} {} {} {} {} {LY} 2-Chloro-6-benzothiazolecarboxylic acid {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-benzothiazolecarboxylic acid {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-benzothiazolecarboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-benzothiazolecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-benzothiazolecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-benzothiazolecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-benzothiazolecarboxylic a
Chemical Name Translation2-氯-6-苯并噻唑羧酸
LabNetwork Molecule IDLN00149205
PubChem Substance ID18511584
InChIInChI=1S/C8H4ClNO2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h1-3H,(H,11,12)
Canonical SMILESO=C(C1=CC=C2N=C(Cl)SC2=C1)O
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分类

  • {KO} ReacChlorides
  • Building Blocks, C8 to C9, Chemical Synthesis, Heterocyclic Building Blocks, New Products for Chemical Synthesis, Thiazoles
  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Heterocyclic Building Blocks, Thiazoles
  • {KO} CarboxylicAcids

相关文献及参考

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Signal word Warning
Hazard Codes Xn
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
1
H-bond Donors
1
LogP
2

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. Thiazoles 噻唑
  5. C8 to C9 - Thiazoles

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