2-Methylbenzothiazole-6-Carboxylic Acid 2-甲基苯并噻唑-6-羧酸

CAS 6941-28-2 MFCD07394023

化学结构图

6941-28-2
SMILES: Cc1nc2ccc(C(=O)O)cc2s1

化学属性

Mol. FormulaC9H7NO2S
Mol. Weight193.22238
Melting Point229-232 °C
Boiling Point385.2±15.0 °C at 760 mmHg

别名和识别编码

Chemical Name2-Methylbenzothiazole-6-Carboxylic Acid
CAS Number6941-28-2
Alfabeta NameMETHYLBENZOTHIAZOLECARBOXYLICACID 2136-----,
MDL NumberMFCD07394023
Synonym 2-Methyl-1,3-benzothiazole-6-carboxylic acid {LY} 2-Methyl-1,3-benzothiazole-6-carboxylic acid {} {LY} 2-Methyl-1,3-benzothiazole-6-carboxylic acid {} {} {LY} 2-Methyl-1,3-benzothiazole-6-carboxylic acid {} {} {} {LY} 2-Methyl-1,3-benzothiazole-6-carboxylic acid {} {} {} {} {LY} 2-Methyl-1,3-benzothiazole-6-carboxylic acid {} {} {} {} {} {LY} 2-Methyl-1,3-benzothiazole-6-carboxylic acid {} {} {} {} {} {} {LY} 2-Methyl-1,3-benzothiazole-6-carboxylic acid {} {} {} {} {} {} {} {LY} 2-Methyl-1,3-benzothiazole-6-carboxylic acid {} {} {} {} {} {} {} {} {LY} 2-Methyl-1,3-benzothiazole-6-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-1,3-benzothiazole-6-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-1,3-benzothiazole-6-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-1,3-benzothiazole-6-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-1,3-benzothiazole-6-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Meth
Chemical Name Translation2-甲基苯并噻唑-6-羧酸
PubChem Substance ID246898
LabNetwork Molecule IDLN00131665
InChIInChI=1S/C9H7NO2S/c1-5-10-7-3-2-6(9(11)12)4-8(7)13-5/h2-4H,1H3,(H,11,12)
Canonical SMILESO=C(O)C1=CC2=C(C=C1)N=C(C)S2
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分类

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

安全信息

Warnings IRRITANT
WGK Germany3
Storage condition

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
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. Thiazoles 噻唑
  5. C8 to C9 - Thiazoles

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